(2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide

C15H26N2O — CID 94744585

IUPAC(2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide
SMILESO=C(NC1CC1)N1CCC[C@H]1CC1CCCCC1
InChIInChI=1S/C15H26N2O/c18-15(16-13-8-9-13)17-10-4-7-14(17)11-12-5-2-1-3-6-12/h12-14H,1-11H2,(H,16,18)/t14-/m0/s1
InChIKeyZQTGEIGNJJRYQT-AWEZNQCLSA-N
MW250.39 g/mol
LogP3.29
Rot. Bonds3

About (2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide

(2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide (PubChem CID 94744585) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide
PubChem CID94744585
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide
SMILESO=C(NC1CC1)N1CCC[C@H]1CC1CCCCC1
InChIInChI=1S/C15H26N2O/c18-15(16-13-8-9-13)17-10-4-7-14(17)11-12-5-2-1-3-6-12/h12-14H,1-11H2,(H,16,18)/t14-/m0/s1
InChIKeyZQTGEIGNJJRYQT-AWEZNQCLSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Cyclohexylmethyl)-3-cyclopentyl-1-cyclopropylurea
CID 71889689
N-(1-cyclopropylpiperidin-4-yl)-2-azaspiro[4.5]decane-2-carboxamide
CID 71926055
N-butyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 72102169
3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]urea
CID 97186226
N-[(1R,2S)-2-cyclohexylcyclopropyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide
CID 136581354
(2S)-2-cyclobutyl-N-cyclopropylpyrrolidine-1-carboxamide
CID 164629691
N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide
CID 123349275
1-(4-Methylcyclohexyl)imidazolidin-2-one
CID 580442
1,3-Dicyclopropyl-1-(4-methylcyclohexyl)urea
CID 75534171
4-Cyclohexyl-1,5-dimethylimidazolidin-2-one
CID 15912663
1-(2-Cyclohexylethyl)imidazolidin-2-one
CID 21749863
N-(2-cycloheptylethyl)pyrrolidine-1-carboxamide
CID 53685955

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide (CID 94744585) is (2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide is O=C(NC1CC1)N1CCC[C@H]1CC1CCCCC1.
What is the InChIKey of (2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide?
The InChIKey is ZQTGEIGNJJRYQT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N2O/c18-15(16-13-8-9-13)17-10-4-7-14(17)11-12-5-2-1-3-6-12/h12-14H,1-11H2,(H,16,18)/t14-/m0/s1.
What are the key properties of (2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide?
(2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide has a molecular weight of 250.39 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide is sourced from PubChem (CID 94744585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).