1-[(2R)-2-cyclohexylpyrrolidin-1-yl]-3,3-dicyclopropylprop-2-en-1-one

C19H29NO — CID 97015732

IUPAC1-[(2R)-2-cyclohexylpyrrolidin-1-yl]-3,3-dicyclopropylprop-2-en-1-one
SMILESO=C(C=C(C1CC1)C1CC1)N1CCC[C@@H]1C1CCCCC1
InChIInChI=1S/C19H29NO/c21-19(13-17(14-8-9-14)15-10-11-15)20-12-4-7-18(20)16-5-2-1-3-6-16/h13-16,18H,1-12H2/t18-/m1/s1
InChIKeyCVDLSYRNYUHWER-GOSISDBHSA-N
MW287.45 g/mol
LogP4.30
Rot. Bonds4

About 1-[(2R)-2-cyclohexylpyrrolidin-1-yl]-3,3-dicyclopropylprop-2-en-1-one

1-[(2R)-2-cyclohexylpyrrolidin-1-yl]-3,3-dicyclopropylprop-2-en-1-one (PubChem CID 97015732) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[(2R)-2-cyclohexylpyrrolidin-1-yl]-3,3-dicyclopropylprop-2-en-1-one.

Molecular Properties

Compound Name1-[(2R)-2-cyclohexylpyrrolidin-1-yl]-3,3-dicyclopropylprop-2-en-1-one
PubChem CID97015732
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-[(2R)-2-cyclohexylpyrrolidin-1-yl]-3,3-dicyclopropylprop-2-en-1-one
SMILESO=C(C=C(C1CC1)C1CC1)N1CCC[C@@H]1C1CCCCC1
InChIInChI=1S/C19H29NO/c21-19(13-17(14-8-9-14)15-10-11-15)20-12-4-7-18(20)16-5-2-1-3-6-16/h13-16,18H,1-12H2/t18-/m1/s1
InChIKeyCVDLSYRNYUHWER-GOSISDBHSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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cyclobutyl-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 110871989
cyclopropyl-(2-cyclopropylpyrrolidin-1-yl)methanone
CID 110871757
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone
CID 60946954
(3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120757
[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 171722445
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)cyclohexyl]-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 60596758
1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 64593206
1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one
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azepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclohexylpyrrolidin-1-yl]-3,3-dicyclopropylprop-2-en-1-one?
The IUPAC name of 1-[(2R)-2-cyclohexylpyrrolidin-1-yl]-3,3-dicyclopropylprop-2-en-1-one (CID 97015732) is 1-[(2R)-2-cyclohexylpyrrolidin-1-yl]-3,3-dicyclopropylprop-2-en-1-one.
What is the SMILES notation for 1-[(2R)-2-cyclohexylpyrrolidin-1-yl]-3,3-dicyclopropylprop-2-en-1-one?
The canonical SMILES for 1-[(2R)-2-cyclohexylpyrrolidin-1-yl]-3,3-dicyclopropylprop-2-en-1-one is O=C(C=C(C1CC1)C1CC1)N1CCC[C@@H]1C1CCCCC1.
What is the InChIKey of 1-[(2R)-2-cyclohexylpyrrolidin-1-yl]-3,3-dicyclopropylprop-2-en-1-one?
The InChIKey is CVDLSYRNYUHWER-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29NO/c21-19(13-17(14-8-9-14)15-10-11-15)20-12-4-7-18(20)16-5-2-1-3-6-16/h13-16,18H,1-12H2/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-cyclohexylpyrrolidin-1-yl]-3,3-dicyclopropylprop-2-en-1-one?
1-[(2R)-2-cyclohexylpyrrolidin-1-yl]-3,3-dicyclopropylprop-2-en-1-one has a molecular weight of 287.45 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-cyclohexylpyrrolidin-1-yl]-3,3-dicyclopropylprop-2-en-1-one is sourced from PubChem (CID 97015732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).