13-azabicyclo[10.1.0]tridec-12-en-2-one

C12H19NO — CID 12637116

IUPAC13-azabicyclo[10.1.0]tridec-12-en-2-one
SMILESO=C1CCCCCCCCCC2=NC12
InChIInChI=1S/C12H19NO/c14-11-9-7-5-3-1-2-4-6-8-10-12(11)13-10/h12H,1-9H2
InChIKeyNFNGRKCYOXNQFT-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.90
Rot. Bonds

About 13-azabicyclo[10.1.0]tridec-12-en-2-one

13-azabicyclo[10.1.0]tridec-12-en-2-one (PubChem CID 12637116) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 13-azabicyclo[10.1.0]tridec-12-en-2-one.

Molecular Properties

Compound Name13-azabicyclo[10.1.0]tridec-12-en-2-one
PubChem CID12637116
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name13-azabicyclo[10.1.0]tridec-12-en-2-one
SMILESO=C1CCCCCCCCCC2=NC12
InChIInChI=1S/C12H19NO/c14-11-9-7-5-3-1-2-4-6-8-10-12(11)13-10/h12H,1-9H2
InChIKeyNFNGRKCYOXNQFT-UHFFFAOYSA-N
XLogP2.90
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 90878365
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CID 101663292
1-[(2R)-2-propyl-2,3,4,5-tetrahydropyridin-6-yl]heptan-3-one
CID 134848008
1-(2-Propyl-2,3,4,5-tetrahydropyridin-6-yl)heptan-3-one
CID 134861026
2-[(3-Oxoheptan-2-yl)imino]heptan-3-one
CID 166637369
9-Azabicyclo[6.1.0]non-8-en-2-one
CID 337939
1-Pyrroline, 2-hexanoyl
CID 529250
1-[(2S)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one
CID 102173669
1-(3,4-dihydro-2H-pyrrol-5-yl)tetradecan-2-one
CID 54086955
1-(2,3,4,5-Tetrahydropyridin-6-yl)propan-2-one
CID 54276211
1-(2,3,4,5-Tetrahydropyridin-6-yl)pentan-1-one
CID 69098503
5-Propan-2-yliminooctan-3-one
CID 139343036

Frequently Asked Questions

What is the IUPAC name of 13-azabicyclo[10.1.0]tridec-12-en-2-one?
The IUPAC name of 13-azabicyclo[10.1.0]tridec-12-en-2-one (CID 12637116) is 13-azabicyclo[10.1.0]tridec-12-en-2-one.
What is the SMILES notation for 13-azabicyclo[10.1.0]tridec-12-en-2-one?
The canonical SMILES for 13-azabicyclo[10.1.0]tridec-12-en-2-one is O=C1CCCCCCCCCC2=NC12.
What is the InChIKey of 13-azabicyclo[10.1.0]tridec-12-en-2-one?
The InChIKey is NFNGRKCYOXNQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-11-9-7-5-3-1-2-4-6-8-10-12(11)13-10/h12H,1-9H2.
What are the key properties of 13-azabicyclo[10.1.0]tridec-12-en-2-one?
13-azabicyclo[10.1.0]tridec-12-en-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-azabicyclo[10.1.0]tridec-12-en-2-one is sourced from PubChem (CID 12637116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).