(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-ol

C16H24N2O — CID 118584139

IUPAC(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-ol
SMILESCN1CC[C@]23CCNC[C@H]2[C@H]1CC1=C3CC(O)C=C1
InChIInChI=1S/C16H24N2O/c1-18-7-5-16-4-6-17-10-14(16)15(18)8-11-2-3-12(19)9-13(11)16/h2-3,12,14-15,17,19H,4-10H2,1H3/t12?,14-,15+,16-/m0/s1
InChIKeyBVRQLWFVTRKXAP-WDVRLDOZSA-N
MW260.38 g/mol
LogP1.31
Rot. Bonds

About (1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-ol

(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-ol (PubChem CID 118584139) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-ol.

Molecular Properties

Compound Name(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-ol
PubChem CID118584139
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-ol
SMILESCN1CC[C@]23CCNC[C@H]2[C@H]1CC1=C3CC(O)C=C1
InChIInChI=1S/C16H24N2O/c1-18-7-5-16-4-6-17-10-14(16)15(18)8-11-2-3-12(19)9-13(11)16/h2-3,12,14-15,17,19H,4-10H2,1H3/t12?,14-,15+,16-/m0/s1
InChIKeyBVRQLWFVTRKXAP-WDVRLDOZSA-N
XLogP1.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-ol?
The IUPAC name of (1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-ol (CID 118584139) is (1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-ol.
What is the SMILES notation for (1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-ol?
The canonical SMILES for (1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-ol is CN1CC[C@]23CCNC[C@H]2[C@H]1CC1=C3CC(O)C=C1.
What is the InChIKey of (1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-ol?
The InChIKey is BVRQLWFVTRKXAP-WDVRLDOZSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18-7-5-16-4-6-17-10-14(16)15(18)8-11-2-3-12(19)9-13(11)16/h2-3,12,14-15,17,19H,4-10H2,1H3/t12?,14-,15+,16-/m0/s1.
What are the key properties of (1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-ol?
(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-ol has a molecular weight of 260.38 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-ol is sourced from PubChem (CID 118584139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).