12-propan-2-yl-3,7-dioxa-1,12-diazatricyclo[8.4.0.02,6]tetradeca-2(6),4-diene

C13H20N2O2 — CID 167173610

IUPAC12-propan-2-yl-3,7-dioxa-1,12-diazatricyclo[8.4.0.02,6]tetradeca-2(6),4-diene
SMILESCC(C)N1CCN2c3occc3OCCC2C1
InChIInChI=1S/C13H20N2O2/c1-10(2)14-5-6-15-11(9-14)3-7-16-12-4-8-17-13(12)15/h4,8,10-11H,3,5-7,9H2,1-2H3
InChIKeyRYICONBSTNZGQT-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.96
Rot. Bonds1

About 12-propan-2-yl-3,7-dioxa-1,12-diazatricyclo[8.4.0.02,6]tetradeca-2(6),4-diene

12-propan-2-yl-3,7-dioxa-1,12-diazatricyclo[8.4.0.02,6]tetradeca-2(6),4-diene (PubChem CID 167173610) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 12-propan-2-yl-3,7-dioxa-1,12-diazatricyclo[8.4.0.02,6]tetradeca-2(6),4-diene.

Molecular Properties

Compound Name12-propan-2-yl-3,7-dioxa-1,12-diazatricyclo[8.4.0.02,6]tetradeca-2(6),4-diene
PubChem CID167173610
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name12-propan-2-yl-3,7-dioxa-1,12-diazatricyclo[8.4.0.02,6]tetradeca-2(6),4-diene
SMILESCC(C)N1CCN2c3occc3OCCC2C1
InChIInChI=1S/C13H20N2O2/c1-10(2)14-5-6-15-11(9-14)3-7-16-12-4-8-17-13(12)15/h4,8,10-11H,3,5-7,9H2,1-2H3
InChIKeyRYICONBSTNZGQT-UHFFFAOYSA-N
XLogP1.96
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(10S)-12-propan-2-yl-7-oxa-1,3,4,12-tetrazatricyclo[8.4.0.02,6]tetradeca-2(6),4-diene
CID 167173589
(11S)-5-chloro-13-propan-2-yl-8-oxa-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene
CID 167172736
(11S)-5-methoxy-13-propan-2-yl-8-oxa-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene
CID 167172640
5-(3,3-difluoroazetidin-1-yl)-13-propan-2-yl-8-oxa-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene
CID 167173621
4-methyl-12-propan-2-yl-5-(trifluoromethyl)-7-oxa-1,3,4,12-tetrazatricyclo[8.4.0.02,6]tetradeca-2,5-diene
CID 167173886
(8aS)-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 131632865
2-methyl-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 146394625
(11S)-13-propan-2-yl-8-thia-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene
CID 167173682
(10R)-5-bromo-12-propan-2-yl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
CID 167172630
5-morpholin-4-yl-12-propan-2-yl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
CID 167172716
1-(12-propan-2-yl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl)ethanone
CID 167173596
4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 59897847

Frequently Asked Questions

What is the IUPAC name of 12-propan-2-yl-3,7-dioxa-1,12-diazatricyclo[8.4.0.02,6]tetradeca-2(6),4-diene?
The IUPAC name of 12-propan-2-yl-3,7-dioxa-1,12-diazatricyclo[8.4.0.02,6]tetradeca-2(6),4-diene (CID 167173610) is 12-propan-2-yl-3,7-dioxa-1,12-diazatricyclo[8.4.0.02,6]tetradeca-2(6),4-diene.
What is the SMILES notation for 12-propan-2-yl-3,7-dioxa-1,12-diazatricyclo[8.4.0.02,6]tetradeca-2(6),4-diene?
The canonical SMILES for 12-propan-2-yl-3,7-dioxa-1,12-diazatricyclo[8.4.0.02,6]tetradeca-2(6),4-diene is CC(C)N1CCN2c3occc3OCCC2C1.
What is the InChIKey of 12-propan-2-yl-3,7-dioxa-1,12-diazatricyclo[8.4.0.02,6]tetradeca-2(6),4-diene?
The InChIKey is RYICONBSTNZGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)14-5-6-15-11(9-14)3-7-16-12-4-8-17-13(12)15/h4,8,10-11H,3,5-7,9H2,1-2H3.
What are the key properties of 12-propan-2-yl-3,7-dioxa-1,12-diazatricyclo[8.4.0.02,6]tetradeca-2(6),4-diene?
12-propan-2-yl-3,7-dioxa-1,12-diazatricyclo[8.4.0.02,6]tetradeca-2(6),4-diene has a molecular weight of 236.31 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-propan-2-yl-3,7-dioxa-1,12-diazatricyclo[8.4.0.02,6]tetradeca-2(6),4-diene is sourced from PubChem (CID 167173610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).