1,2-bis(prop-2-enyl)azocan-3-one

C13H21NO — CID 86179193

IUPAC1,2-bis(prop-2-enyl)azocan-3-one
SMILESC=CCC1C(=O)CCCCCN1CC=C
InChIInChI=1S/C13H21NO/c1-3-8-12-13(15)9-6-5-7-11-14(12)10-4-2/h3-4,12H,1-2,5-11H2
InChIKeyBNYFWHZFJDBAKI-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.56
Rot. Bonds4

About 1,2-bis(prop-2-enyl)azocan-3-one

1,2-bis(prop-2-enyl)azocan-3-one (PubChem CID 86179193) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1,2-bis(prop-2-enyl)azocan-3-one.

Molecular Properties

Compound Name1,2-bis(prop-2-enyl)azocan-3-one
PubChem CID86179193
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1,2-bis(prop-2-enyl)azocan-3-one
SMILESC=CCC1C(=O)CCCCCN1CC=C
InChIInChI=1S/C13H21NO/c1-3-8-12-13(15)9-6-5-7-11-14(12)10-4-2/h3-4,12H,1-2,5-11H2
InChIKeyBNYFWHZFJDBAKI-UHFFFAOYSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(prop-2-enyl)azocan-3-one?
The IUPAC name of 1,2-bis(prop-2-enyl)azocan-3-one (CID 86179193) is 1,2-bis(prop-2-enyl)azocan-3-one.
What is the SMILES notation for 1,2-bis(prop-2-enyl)azocan-3-one?
The canonical SMILES for 1,2-bis(prop-2-enyl)azocan-3-one is C=CCC1C(=O)CCCCCN1CC=C.
What is the InChIKey of 1,2-bis(prop-2-enyl)azocan-3-one?
The InChIKey is BNYFWHZFJDBAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-8-12-13(15)9-6-5-7-11-14(12)10-4-2/h3-4,12H,1-2,5-11H2.
What are the key properties of 1,2-bis(prop-2-enyl)azocan-3-one?
1,2-bis(prop-2-enyl)azocan-3-one has a molecular weight of 207.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enyl)azocan-3-one is sourced from PubChem (CID 86179193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).