N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

C15H19N3O2 — CID 60927170

IUPACN-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESC=CCNC(=O)c1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-9-17-14(19)11-5-7-12(8-6-11)18-15(20)13-4-3-10-16-13/h2,5-8,13,16H,1,3-4,9-10H2,(H,17,19)(H,18,20)
InChIKeyXPWCVOYMWKOSBH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.29
Rot. Bonds5

About N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 60927170) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID60927170
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESC=CCNC(=O)c1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-9-17-14(19)11-5-7-12(8-6-11)18-15(20)13-4-3-10-16-13/h2,5-8,13,16H,1,3-4,9-10H2,(H,17,19)(H,18,20)
InChIKeyXPWCVOYMWKOSBH-UHFFFAOYSA-N
XLogP1.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[4-(prop-2-enylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740948
(2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119284338
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide
CID 119827871
N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 43233974
4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide
CID 110015373
(2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide
CID 95376963
(2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 103808292
(2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 119885587
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450

Frequently Asked Questions

What is the IUPAC name of N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (CID 60927170) is N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is C=CCNC(=O)c1ccc(NC(=O)C2CCCN2)cc1.
What is the InChIKey of N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is XPWCVOYMWKOSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-9-17-14(19)11-5-7-12(8-6-11)18-15(20)13-4-3-10-16-13/h2,5-8,13,16H,1,3-4,9-10H2,(H,17,19)(H,18,20).
What are the key properties of N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60927170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).