1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one

C15H25NO2 — CID 107001622

IUPAC1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCCN1C(=O)C1CC1(C)C
InChIInChI=1S/C15H25NO2/c1-11(17)9-12-7-5-4-6-8-16(12)14(18)13-10-15(13,2)3/h12-13H,4-10H2,1-3H3
InChIKeyBRBBBCRZIFDYPX-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.78
Rot. Bonds3

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

1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one (PubChem CID 107001622) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one
PubChem CID107001622
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCCN1C(=O)C1CC1(C)C
InChIInChI=1S/C15H25NO2/c1-11(17)9-12-7-5-4-6-8-16(12)14(18)13-10-15(13,2)3/h12-13H,4-10H2,1-3H3
InChIKeyBRBBBCRZIFDYPX-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one
CID 107178848
(2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103915216
1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one
CID 79553595
[2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107003183
1-[1-(thiane-2-carbonyl)piperidin-2-yl]propan-2-one
CID 80594435
[(2S)-2-(bromomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 164648318
1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one
CID 114457934
1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one
CID 79553061
1-[1-(2-cyclohexylacetyl)azepan-2-yl]propan-2-one
CID 79552906
[2-(bromomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107003212
1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one
CID 103513810
N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide
CID 79553142

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one?
The IUPAC name of 1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one (CID 107001622) is 1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one is CC(=O)CC1CCCCCN1C(=O)C1CC1(C)C.
What is the InChIKey of 1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one?
The InChIKey is BRBBBCRZIFDYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(17)9-12-7-5-4-6-8-16(12)14(18)13-10-15(13,2)3/h12-13H,4-10H2,1-3H3.
What are the key properties of 1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one?
1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one has a molecular weight of 251.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one is sourced from PubChem (CID 107001622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).