3,4,5,6,7,8-hexahydro-1H-azecin-2-one

C9H15NO — CID 67872698

IUPAC3,4,5,6,7,8-hexahydro-1H-azecin-2-one
SMILESO=C1CCCCCCC=CN1
InChIInChI=1S/C9H15NO/c11-9-7-5-3-1-2-4-6-8-10-9/h6,8H,1-5,7H2,(H,10,11)
InChIKeySZKJVHUIBOOMQU-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.97
Rot. Bonds

About 3,4,5,6,7,8-hexahydro-1H-azecin-2-one

3,4,5,6,7,8-hexahydro-1H-azecin-2-one (PubChem CID 67872698) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 3,4,5,6,7,8-hexahydro-1H-azecin-2-one.

Molecular Properties

Compound Name3,4,5,6,7,8-hexahydro-1H-azecin-2-one
PubChem CID67872698
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name3,4,5,6,7,8-hexahydro-1H-azecin-2-one
SMILESO=C1CCCCCCC=CN1
InChIInChI=1S/C9H15NO/c11-9-7-5-3-1-2-4-6-8-10-9/h6,8H,1-5,7H2,(H,10,11)
InChIKeySZKJVHUIBOOMQU-UHFFFAOYSA-N
XLogP1.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2H-Azepin-2-one, 1,3,4,5-tetrahydro-
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N-(But-3-en-1-yl)undec-10-enamide
CID 15399528
Tetrahydroazocinone
CID 21806491
Hexahydroazonin-2-one
CID 55288093
N-hept-6-enylnon-8-enamide
CID 129776482
N-[(Z)-prop-1-enyl]octanamide
CID 132539500
(13Z)-1-azacyclotetradec-13-ene-2,11-dione
CID 168333754
N-prop-2-enylundec-10-enamide
CID 10751590
N-ethylundec-10-enamide
CID 17824888
N-ethyldec-9-enamide
CID 17824971
N-ethylnon-8-enamide
CID 17825036

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,7,8-hexahydro-1H-azecin-2-one?
The IUPAC name of 3,4,5,6,7,8-hexahydro-1H-azecin-2-one (CID 67872698) is 3,4,5,6,7,8-hexahydro-1H-azecin-2-one.
What is the SMILES notation for 3,4,5,6,7,8-hexahydro-1H-azecin-2-one?
The canonical SMILES for 3,4,5,6,7,8-hexahydro-1H-azecin-2-one is O=C1CCCCCCC=CN1.
What is the InChIKey of 3,4,5,6,7,8-hexahydro-1H-azecin-2-one?
The InChIKey is SZKJVHUIBOOMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-9-7-5-3-1-2-4-6-8-10-9/h6,8H,1-5,7H2,(H,10,11).
What are the key properties of 3,4,5,6,7,8-hexahydro-1H-azecin-2-one?
3,4,5,6,7,8-hexahydro-1H-azecin-2-one has a molecular weight of 153.23 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,7,8-hexahydro-1H-azecin-2-one is sourced from PubChem (CID 67872698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).