(2E)-13-azabicyclo[10.1.0]trideca-2,12-dien-4-one

C12H17NO — CID 23258024

IUPAC(2E)-13-azabicyclo[10.1.0]trideca-2,12-dien-4-one
SMILESO=C1/C=C/C2N=C2CCCCCCC1
InChIInChI=1S/C12H17NO/c14-10-6-4-2-1-3-5-7-11-12(13-11)9-8-10/h8-9,12H,1-7H2/b9-8+
InChIKeyHABHQYHUVZHTJG-CMDGGOBGSA-N
MW191.27 g/mol
LogP2.68
Rot. Bonds

About (2E)-13-azabicyclo[10.1.0]trideca-2,12-dien-4-one

(2E)-13-azabicyclo[10.1.0]trideca-2,12-dien-4-one (PubChem CID 23258024) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2E)-13-azabicyclo[10.1.0]trideca-2,12-dien-4-one.

Molecular Properties

Compound Name(2E)-13-azabicyclo[10.1.0]trideca-2,12-dien-4-one
PubChem CID23258024
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2E)-13-azabicyclo[10.1.0]trideca-2,12-dien-4-one
SMILESO=C1/C=C/C2N=C2CCCCCCC1
InChIInChI=1S/C12H17NO/c14-10-6-4-2-1-3-5-7-11-12(13-11)9-8-10/h8-9,12H,1-7H2/b9-8+
InChIKeyHABHQYHUVZHTJG-CMDGGOBGSA-N
XLogP2.68
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2E)-15-azabicyclo[12.1.0]pentadeca-2,14-dien-4-one
CID 23258025
4-methylcyclooct-2-en-1-one
CID 91000254
(2E,6E)-cyclooctadeca-2,6-diene-1,8-dione
CID 58620253
(2Z,6E)-cyclooctadeca-2,6-diene-1,8-dione
CID 23567736
(2E)-cyclooct-2-en-1-one
CID 12579018
(9E,21E)-cyclodocosa-9,21-diene-1,8-dione
CID 10193416
(2E)-cyclononadec-2-en-1-one
CID 171377738
(2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione
CID 23567733
(2E,8E)-cycloicosa-2,8-diene-1,10-dione
CID 10149582
cyclohexadeca-2,4-dien-1-one
CID 154444863
(2Z)-3-hydroxycyclodec-2-en-1-one
CID 158447947
(8E)-bicyclo[12.1.0]pentadec-8-en-7-one
CID 87257523

Frequently Asked Questions

What is the IUPAC name of (2E)-13-azabicyclo[10.1.0]trideca-2,12-dien-4-one?
The IUPAC name of (2E)-13-azabicyclo[10.1.0]trideca-2,12-dien-4-one (CID 23258024) is (2E)-13-azabicyclo[10.1.0]trideca-2,12-dien-4-one.
What is the SMILES notation for (2E)-13-azabicyclo[10.1.0]trideca-2,12-dien-4-one?
The canonical SMILES for (2E)-13-azabicyclo[10.1.0]trideca-2,12-dien-4-one is O=C1/C=C/C2N=C2CCCCCCC1.
What is the InChIKey of (2E)-13-azabicyclo[10.1.0]trideca-2,12-dien-4-one?
The InChIKey is HABHQYHUVZHTJG-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H17NO/c14-10-6-4-2-1-3-5-7-11-12(13-11)9-8-10/h8-9,12H,1-7H2/b9-8+.
What are the key properties of (2E)-13-azabicyclo[10.1.0]trideca-2,12-dien-4-one?
(2E)-13-azabicyclo[10.1.0]trideca-2,12-dien-4-one has a molecular weight of 191.27 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-13-azabicyclo[10.1.0]trideca-2,12-dien-4-one is sourced from PubChem (CID 23258024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).