1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one

C14H23NO2 — CID 79553061

IUPAC1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCCN1C(=O)CC1CC1
InChIInChI=1S/C14H23NO2/c1-11(16)9-13-5-3-2-4-8-15(13)14(17)10-12-6-7-12/h12-13H,2-10H2,1H3
InChIKeyJHYTYSZXCVUABS-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.54
Rot. Bonds4

About 1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one

1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one (PubChem CID 79553061) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one
PubChem CID79553061
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCCN1C(=O)CC1CC1
InChIInChI=1S/C14H23NO2/c1-11(16)9-13-5-3-2-4-8-15(13)14(17)10-12-6-7-12/h12-13H,2-10H2,1H3
InChIKeyJHYTYSZXCVUABS-UHFFFAOYSA-N
XLogP2.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one
CID 114457934
1-[1-(2-cyclohexylacetyl)azepan-2-yl]propan-2-one
CID 79552906
1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one
CID 79553595
1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one
CID 107001622
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
CID 61370257
1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one
CID 103513810
1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone
CID 112701871
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone
CID 113265851
N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide
CID 79553142
tert-butyl (2S)-2-(2-oxopropyl)azepane-1-carboxylate
CID 96581062
2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81425480
1-[2-(2-oxopropyl)pyrrolidin-1-yl]hexan-1-one
CID 79540345

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one?
The IUPAC name of 1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one (CID 79553061) is 1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one is CC(=O)CC1CCCCCN1C(=O)CC1CC1.
What is the InChIKey of 1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one?
The InChIKey is JHYTYSZXCVUABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(16)9-13-5-3-2-4-8-15(13)14(17)10-12-6-7-12/h12-13H,2-10H2,1H3.
What are the key properties of 1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one?
1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one has a molecular weight of 237.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one is sourced from PubChem (CID 79553061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).