1-ethenyl-3-ethylazepan-2-one

C10H17NO — CID 18935097

IUPAC1-ethenyl-3-ethylazepan-2-one
SMILESC=CN1CCCCC(CC)C1=O
InChIInChI=1S/C10H17NO/c1-3-9-7-5-6-8-11(4-2)10(9)12/h4,9H,2-3,5-8H2,1H3
InChIKeyQREAORGVXNVMCB-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.17
Rot. Bonds2

About 1-ethenyl-3-ethylazepan-2-one

1-ethenyl-3-ethylazepan-2-one (PubChem CID 18935097) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-ethenyl-3-ethylazepan-2-one.

Molecular Properties

Compound Name1-ethenyl-3-ethylazepan-2-one
PubChem CID18935097
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-ethenyl-3-ethylazepan-2-one
SMILESC=CN1CCCCC(CC)C1=O
InChIInChI=1S/C10H17NO/c1-3-9-7-5-6-8-11(4-2)10(9)12/h4,9H,2-3,5-8H2,1H3
InChIKeyQREAORGVXNVMCB-UHFFFAOYSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-ethylazepan-2-one?
The IUPAC name of 1-ethenyl-3-ethylazepan-2-one (CID 18935097) is 1-ethenyl-3-ethylazepan-2-one.
What is the SMILES notation for 1-ethenyl-3-ethylazepan-2-one?
The canonical SMILES for 1-ethenyl-3-ethylazepan-2-one is C=CN1CCCCC(CC)C1=O.
What is the InChIKey of 1-ethenyl-3-ethylazepan-2-one?
The InChIKey is QREAORGVXNVMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-9-7-5-6-8-11(4-2)10(9)12/h4,9H,2-3,5-8H2,1H3.
What are the key properties of 1-ethenyl-3-ethylazepan-2-one?
1-ethenyl-3-ethylazepan-2-one has a molecular weight of 167.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-ethylazepan-2-one is sourced from PubChem (CID 18935097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).