1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one

C16H27NO2 — CID 107178848

IUPAC1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1C(=O)C1CCCCC1(C)C
InChIInChI=1S/C16H27NO2/c1-12(18)11-13-7-6-10-17(13)15(19)14-8-4-5-9-16(14,2)3/h13-14H,4-11H2,1-3H3
InChIKeyYOGFXEKIYNTOSA-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.17
Rot. Bonds3

About 1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one

1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one (PubChem CID 107178848) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one
PubChem CID107178848
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1C(=O)C1CCCCC1(C)C
InChIInChI=1S/C16H27NO2/c1-12(18)11-13-7-6-10-17(13)15(19)14-8-4-5-9-16(14,2)3/h13-14H,4-11H2,1-3H3
InChIKeyYOGFXEKIYNTOSA-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(bromomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183977
1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one
CID 107001622
(2,2-dimethylcyclohexyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107180809
[2-(2-bromopropyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 112748442
1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one
CID 79553595
1-[1-(thiane-2-carbonyl)piperidin-2-yl]propan-2-one
CID 80594435
2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one
CID 79539984
(2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107175429
[2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107003183
[(2S)-2-(bromomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 164648318
1-[1-(2-cyclohexylacetyl)azepan-2-yl]propan-2-one
CID 79552906
1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one
CID 79553061

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one (CID 107178848) is 1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1C(=O)C1CCCCC1(C)C.
What is the InChIKey of 1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one?
The InChIKey is YOGFXEKIYNTOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(18)11-13-7-6-10-17(13)15(19)14-8-4-5-9-16(14,2)3/h13-14H,4-11H2,1-3H3.
What are the key properties of 1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one?
1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one has a molecular weight of 265.40 g/mol, XLogP of 3.17, 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-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 107178848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).