1-(3-cyclohexylpropanoyl)-2,5-dihydropyrrole-2-carboxamide

C14H22N2O2 — CID 67599441

IUPAC1-(3-cyclohexylpropanoyl)-2,5-dihydropyrrole-2-carboxamide
SMILESNC(=O)C1C=CCN1C(=O)CCC1CCCCC1
InChIInChI=1S/C14H22N2O2/c15-14(18)12-7-4-10-16(12)13(17)9-8-11-5-2-1-3-6-11/h4,7,11-12H,1-3,5-6,8-10H2,(H2,15,18)
InChIKeyXJXHDNJKEZCOHE-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.60
Rot. Bonds4

About 1-(3-cyclohexylpropanoyl)-2,5-dihydropyrrole-2-carboxamide

1-(3-cyclohexylpropanoyl)-2,5-dihydropyrrole-2-carboxamide (PubChem CID 67599441) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(3-cyclohexylpropanoyl)-2,5-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(3-cyclohexylpropanoyl)-2,5-dihydropyrrole-2-carboxamide
PubChem CID67599441
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(3-cyclohexylpropanoyl)-2,5-dihydropyrrole-2-carboxamide
SMILESNC(=O)C1C=CCN1C(=O)CCC1CCCCC1
InChIInChI=1S/C14H22N2O2/c15-14(18)12-7-4-10-16(12)13(17)9-8-11-5-2-1-3-6-11/h4,7,11-12H,1-3,5-6,8-10H2,(H2,15,18)
InChIKeyXJXHDNJKEZCOHE-UHFFFAOYSA-N
XLogP1.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.60
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 1-(3-cyclohexylpropanoyl)-2,5-dihydropyrrole-2-carboxamide?
The IUPAC name of 1-(3-cyclohexylpropanoyl)-2,5-dihydropyrrole-2-carboxamide (CID 67599441) is 1-(3-cyclohexylpropanoyl)-2,5-dihydropyrrole-2-carboxamide.
What is the SMILES notation for 1-(3-cyclohexylpropanoyl)-2,5-dihydropyrrole-2-carboxamide?
The canonical SMILES for 1-(3-cyclohexylpropanoyl)-2,5-dihydropyrrole-2-carboxamide is NC(=O)C1C=CCN1C(=O)CCC1CCCCC1.
What is the InChIKey of 1-(3-cyclohexylpropanoyl)-2,5-dihydropyrrole-2-carboxamide?
The InChIKey is XJXHDNJKEZCOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c15-14(18)12-7-4-10-16(12)13(17)9-8-11-5-2-1-3-6-11/h4,7,11-12H,1-3,5-6,8-10H2,(H2,15,18).
What are the key properties of 1-(3-cyclohexylpropanoyl)-2,5-dihydropyrrole-2-carboxamide?
1-(3-cyclohexylpropanoyl)-2,5-dihydropyrrole-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropanoyl)-2,5-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 67599441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).