(3S)-3-amino-1-ethylazepan-2-one

C8H16N2O — CID 2756420

IUPAC(3S)-3-amino-1-ethylazepan-2-one
SMILESCCN1CCCC[C@H](N)C1=O
InChIInChI=1S/C8H16N2O/c1-2-10-6-4-3-5-7(9)8(10)11/h7H,2-6,9H2,1H3/t7-/m0/s1
InChIKeyKBJPENFOWBANKE-ZETCQYMHSA-N
MW156.23 g/mol
LogP0.35
Rot. Bonds1

About (3S)-3-amino-1-ethylazepan-2-one

(3S)-3-amino-1-ethylazepan-2-one (PubChem CID 2756420) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (3S)-3-amino-1-ethylazepan-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-ethylazepan-2-one
PubChem CID2756420
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(3S)-3-amino-1-ethylazepan-2-one
SMILESCCN1CCCC[C@H](N)C1=O
InChIInChI=1S/C8H16N2O/c1-2-10-6-4-3-5-7(9)8(10)11/h7H,2-6,9H2,1H3/t7-/m0/s1
InChIKeyKBJPENFOWBANKE-ZETCQYMHSA-N
XLogP0.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-ethylazepan-2-one?
The IUPAC name of (3S)-3-amino-1-ethylazepan-2-one (CID 2756420) is (3S)-3-amino-1-ethylazepan-2-one.
What is the SMILES notation for (3S)-3-amino-1-ethylazepan-2-one?
The canonical SMILES for (3S)-3-amino-1-ethylazepan-2-one is CCN1CCCC[C@H](N)C1=O.
What is the InChIKey of (3S)-3-amino-1-ethylazepan-2-one?
The InChIKey is KBJPENFOWBANKE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-10-6-4-3-5-7(9)8(10)11/h7H,2-6,9H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-3-amino-1-ethylazepan-2-one?
(3S)-3-amino-1-ethylazepan-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-ethylazepan-2-one is sourced from PubChem (CID 2756420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).