(3S,7R)-11-hydroxy-7,13-dimethylspiro[4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-6,1'-cyclopropane]-9,12-dione

C15H18N2O4 — CID 130310631

IUPAC(3S,7R)-11-hydroxy-7,13-dimethylspiro[4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-6,1'-cyclopropane]-9,12-dione
SMILESCc1cn2c(c(O)c1=O)C(=O)N1[C@H](C2)OCC2(CC2)[C@H]1C
InChIInChI=1S/C15H18N2O4/c1-8-5-16-6-10-17(9(2)15(3-4-15)7-21-10)14(20)11(16)13(19)12(8)18/h5,9-10,19H,3-4,6-7H2,1-2H3/t9-,10+/m1/s1
InChIKeyWFWVFKZGYBMQJT-ZJUUUORDSA-N
MW290.32 g/mol
LogP0.84
Rot. Bonds

About (3S,7R)-11-hydroxy-7,13-dimethylspiro[4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-6,1'-cyclopropane]-9,12-dione

(3S,7R)-11-hydroxy-7,13-dimethylspiro[4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-6,1'-cyclopropane]-9,12-dione (PubChem CID 130310631) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (3S,7R)-11-hydroxy-7,13-dimethylspiro[4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-6,1'-cyclopropane]-9,12-dione.

Molecular Properties

Compound Name(3S,7R)-11-hydroxy-7,13-dimethylspiro[4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-6,1'-cyclopropane]-9,12-dione
PubChem CID130310631
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(3S,7R)-11-hydroxy-7,13-dimethylspiro[4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-6,1'-cyclopropane]-9,12-dione
SMILESCc1cn2c(c(O)c1=O)C(=O)N1[C@H](C2)OCC2(CC2)[C@H]1C
InChIInChI=1S/C15H18N2O4/c1-8-5-16-6-10-17(9(2)15(3-4-15)7-21-10)14(20)11(16)13(19)12(8)18/h5,9-10,19H,3-4,6-7H2,1-2H3/t9-,10+/m1/s1
InChIKeyWFWVFKZGYBMQJT-ZJUUUORDSA-N
XLogP0.84
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,7R)-11-hydroxy-7,13-dimethylspiro[4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-6,1'-cyclopropane]-9,12-dione with MolForge

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Related Compounds

(7R)-11-chloro-7,13-dimethyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 144892113
(7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
CID 122696193
(10R)-4-hydroxy-6-methyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-2,5-dione
CID 130310648
(3R,7S)-13-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-6,6-difluoro-11-hydroxy-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 130255186
10-hydroxy-12-methyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
CID 130310665
(3S,7R)-11-hydroxy-7-methyl-9,12-dioxo-N-(oxolan-2-ylmethyl)-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 71592911
2-ethyl-9-hydroxy-3,7-dimethyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
CID 130310690
(3S,7R)-N-(cyclohexylmethyl)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 118592022
(3S,7R)-N-(1,3-benzothiazol-2-yl)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 118592027
(3S,6S)-11-hydroxy-6-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
CID 91208249
12-[3-(2,4-difluorophenyl)propanoyl]-10-hydroxy-6-methyl-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
CID 76735758
(3S,4S,5R,6R)-11,13-dihydroxy-5-methyl-1,8-diazapentacyclo[8.4.0.03,8.04,6.05,7]tetradeca-10,13-diene-9,12-dione
CID 137482043

Frequently Asked Questions

What is the IUPAC name of (3S,7R)-11-hydroxy-7,13-dimethylspiro[4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-6,1'-cyclopropane]-9,12-dione?
The IUPAC name of (3S,7R)-11-hydroxy-7,13-dimethylspiro[4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-6,1'-cyclopropane]-9,12-dione (CID 130310631) is (3S,7R)-11-hydroxy-7,13-dimethylspiro[4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-6,1'-cyclopropane]-9,12-dione.
What is the SMILES notation for (3S,7R)-11-hydroxy-7,13-dimethylspiro[4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-6,1'-cyclopropane]-9,12-dione?
The canonical SMILES for (3S,7R)-11-hydroxy-7,13-dimethylspiro[4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-6,1'-cyclopropane]-9,12-dione is Cc1cn2c(c(O)c1=O)C(=O)N1[C@H](C2)OCC2(CC2)[C@H]1C.
What is the InChIKey of (3S,7R)-11-hydroxy-7,13-dimethylspiro[4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-6,1'-cyclopropane]-9,12-dione?
The InChIKey is WFWVFKZGYBMQJT-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-8-5-16-6-10-17(9(2)15(3-4-15)7-21-10)14(20)11(16)13(19)12(8)18/h5,9-10,19H,3-4,6-7H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (3S,7R)-11-hydroxy-7,13-dimethylspiro[4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-6,1'-cyclopropane]-9,12-dione?
(3S,7R)-11-hydroxy-7,13-dimethylspiro[4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-6,1'-cyclopropane]-9,12-dione has a molecular weight of 290.32 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7R)-11-hydroxy-7,13-dimethylspiro[4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-6,1'-cyclopropane]-9,12-dione is sourced from PubChem (CID 130310631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).