(2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide

C15H24N2O — CID 164642181

IUPAC(2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESO=C([C@@H]1C=CCN1)N(CC1CC1)C1CCCCC1
InChIInChI=1S/C15H24N2O/c18-15(14-7-4-10-16-14)17(11-12-8-9-12)13-5-2-1-3-6-13/h4,7,12-14,16H,1-3,5-6,8-11H2/t14-/m0/s1
InChIKeyZCRZKDDKSMEOOA-AWEZNQCLSA-N
MW248.37 g/mol
LogP2.09
Rot. Bonds4

About (2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide

(2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 164642181) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID164642181
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESO=C([C@@H]1C=CCN1)N(CC1CC1)C1CCCCC1
InChIInChI=1S/C15H24N2O/c18-15(14-7-4-10-16-14)17(11-12-8-9-12)13-5-2-1-3-6-13/h4,7,12-14,16H,1-3,5-6,8-11H2/t14-/m0/s1
InChIKeyZCRZKDDKSMEOOA-AWEZNQCLSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-(cyclopropylmethyl)-5-methyl-2H-pyrrole-5-carboxamide
CID 5459671
2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide
CID 95627711
(2R)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide
CID 92548251
(2R)-1-(cyclohexanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide
CID 51583259
(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide
CID 92548250
(2R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide
CID 110244525
1-cyclohexyl-6-(propan-2-ylamino)-5,6-dihydro-2H-azepin-7-one
CID 20589776
(E)-N,5-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]hex-3-enamide
CID 59075616
(E)-N,5-dimethyl-2-[(2R)-2-methylpiperidin-1-yl]hex-3-enamide
CID 59075638
N-pentyl-1,2,3,6-tetrahydropyridine-6-carboxamide
CID 69700674
(6S)-1-cyclohexyl-6-(propan-2-ylamino)-5,6-dihydro-2H-azepin-7-one
CID 71093831
(6S)-1-cyclohexyl-6-(methylamino)-5,6-dihydro-2H-azepin-7-one
CID 71094755

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of (2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 164642181) is (2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for (2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide is O=C([C@@H]1C=CCN1)N(CC1CC1)C1CCCCC1.
What is the InChIKey of (2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is ZCRZKDDKSMEOOA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O/c18-15(14-7-4-10-16-14)17(11-12-8-9-12)13-5-2-1-3-6-13/h4,7,12-14,16H,1-3,5-6,8-11H2/t14-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide?
(2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 248.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164642181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).