(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide

C15H22N2O2 — CID 92548250

IUPAC(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1C=CCN1C(=O)C1CC1
InChIInChI=1S/C15H22N2O2/c18-14(16-12-5-2-1-3-6-12)13-7-4-10-17(13)15(19)11-8-9-11/h4,7,11-13H,1-3,5-6,8-10H2,(H,16,18)/t13-/m0/s1
InChIKeyAPVHXMWDNDLZHX-ZDUSSCGKSA-N
MW262.35 g/mol
LogP1.61
Rot. Bonds3

About (2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide

(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide (PubChem CID 92548250) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide
PubChem CID92548250
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1C=CCN1C(=O)C1CC1
InChIInChI=1S/C15H22N2O2/c18-14(16-12-5-2-1-3-6-12)13-7-4-10-17(13)15(19)11-8-9-11/h4,7,11-13H,1-3,5-6,8-10H2,(H,16,18)/t13-/m0/s1
InChIKeyAPVHXMWDNDLZHX-ZDUSSCGKSA-N
XLogP1.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide?
The IUPAC name of (2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide (CID 92548250) is (2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide?
The canonical SMILES for (2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide is O=C(NC1CCCCC1)[C@@H]1C=CCN1C(=O)C1CC1.
What is the InChIKey of (2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide?
The InChIKey is APVHXMWDNDLZHX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-14(16-12-5-2-1-3-6-12)13-7-4-10-17(13)15(19)11-8-9-11/h4,7,11-13H,1-3,5-6,8-10H2,(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide?
(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 92548250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).