(4Z)-1-hydroxybicyclo[7.3.1]tridec-4-en-2,6-diyn-13-one

C13H12O2 — CID 15236996

IUPAC(4Z)-1-hydroxybicyclo[7.3.1]tridec-4-en-2,6-diyn-13-one
SMILESO=C1C2CC#C/C=C\C#CC1(O)CCC2
InChIInChI=1S/C13H12O2/c14-12-11-7-4-2-1-3-5-9-13(12,15)10-6-8-11/h1,3,11,15H,6-8,10H2/b3-1-
InChIKeyBIDVYTBILXCYCK-IWQZZHSRSA-N
MW200.24 g/mol
LogP1.05
Rot. Bonds

About (4Z)-1-hydroxybicyclo[7.3.1]tridec-4-en-2,6-diyn-13-one

(4Z)-1-hydroxybicyclo[7.3.1]tridec-4-en-2,6-diyn-13-one (PubChem CID 15236996) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is (4Z)-1-hydroxybicyclo[7.3.1]tridec-4-en-2,6-diyn-13-one.

Molecular Properties

Compound Name(4Z)-1-hydroxybicyclo[7.3.1]tridec-4-en-2,6-diyn-13-one
PubChem CID15236996
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name(4Z)-1-hydroxybicyclo[7.3.1]tridec-4-en-2,6-diyn-13-one
SMILESO=C1C2CC#C/C=C\C#CC1(O)CCC2
InChIInChI=1S/C13H12O2/c14-12-11-7-4-2-1-3-5-9-13(12,15)10-6-8-11/h1,3,11,15H,6-8,10H2/b3-1-
InChIKeyBIDVYTBILXCYCK-IWQZZHSRSA-N
XLogP1.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1S,8S)-1-hydroxybicyclo[6.3.1]dodecan-12-one
CID 10997937
4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one
CID 116505390
ethyl (1S,5S)-4,4-dimethyl-9-oxobicyclo[3.3.1]non-2-ene-1-carboxylate
CID 10609849
(1S,3R,7S,8S)-3-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undec-5-en-2-one
CID 177495831
(1R,5Z,9R,10S)-9-hydroxy-11-methyl-11-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-12-one
CID 102069427
6,8-dimethylbicyclo[4.3.1]dec-7-en-10-one
CID 130037349
1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 116505382
CID 156803365
CID 156803365
6-oxobicyclo[3.2.1]octane-1-carboxylic acid
CID 12504898
1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449706
8a-hydroxy-1,2,3,3a,5,6,7,8-octahydroazulen-4-one
CID 10773424
1-(3,5-dimethylphenyl)-2-methylcyclopentan-1-ol
CID 65049827

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-hydroxybicyclo[7.3.1]tridec-4-en-2,6-diyn-13-one?
The IUPAC name of (4Z)-1-hydroxybicyclo[7.3.1]tridec-4-en-2,6-diyn-13-one (CID 15236996) is (4Z)-1-hydroxybicyclo[7.3.1]tridec-4-en-2,6-diyn-13-one.
What is the SMILES notation for (4Z)-1-hydroxybicyclo[7.3.1]tridec-4-en-2,6-diyn-13-one?
The canonical SMILES for (4Z)-1-hydroxybicyclo[7.3.1]tridec-4-en-2,6-diyn-13-one is O=C1C2CC#C/C=C\C#CC1(O)CCC2.
What is the InChIKey of (4Z)-1-hydroxybicyclo[7.3.1]tridec-4-en-2,6-diyn-13-one?
The InChIKey is BIDVYTBILXCYCK-IWQZZHSRSA-N. The full InChI is InChI=1S/C13H12O2/c14-12-11-7-4-2-1-3-5-9-13(12,15)10-6-8-11/h1,3,11,15H,6-8,10H2/b3-1-.
What are the key properties of (4Z)-1-hydroxybicyclo[7.3.1]tridec-4-en-2,6-diyn-13-one?
(4Z)-1-hydroxybicyclo[7.3.1]tridec-4-en-2,6-diyn-13-one has a molecular weight of 200.24 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-hydroxybicyclo[7.3.1]tridec-4-en-2,6-diyn-13-one is sourced from PubChem (CID 15236996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).