1-ethylazepan-2-one

C8H15NO — CID 29779

IUPAC1-ethylazepan-2-one
SMILESCCN1CCCCCC1=O
InChIInChI=1S/C8H15NO/c1-2-9-7-5-3-4-6-8(9)10/h2-7H2,1H3
InChIKeyGWCFTYITFDWLAY-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.41
Rot. Bonds1

About 1-ethylazepan-2-one

1-ethylazepan-2-one (PubChem CID 29779) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-ethylazepan-2-one.

Molecular Properties

Compound Name1-ethylazepan-2-one
PubChem CID29779
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-ethylazepan-2-one
SMILESCCN1CCCCCC1=O
InChIInChI=1S/C8H15NO/c1-2-9-7-5-3-4-6-8(9)10/h2-7H2,1H3
InChIKeyGWCFTYITFDWLAY-UHFFFAOYSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylazepan-2-one?
The IUPAC name of 1-ethylazepan-2-one (CID 29779) is 1-ethylazepan-2-one.
What is the SMILES notation for 1-ethylazepan-2-one?
The canonical SMILES for 1-ethylazepan-2-one is CCN1CCCCCC1=O.
What is the InChIKey of 1-ethylazepan-2-one?
The InChIKey is GWCFTYITFDWLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-9-7-5-3-4-6-8(9)10/h2-7H2,1H3.
What are the key properties of 1-ethylazepan-2-one?
1-ethylazepan-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylazepan-2-one is sourced from PubChem (CID 29779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).