N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride

C13H19ClN2O — CID 119261657

IUPACN-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCN1)c1ccccc1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-10(11-6-3-2-4-7-11)15-13(16)12-8-5-9-14-12;/h2-4,6-7,10,12,14H,5,8-9H2,1H3,(H,15,16);1H
InChIKeyYTDSTXDHXAPLIT-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.04
Rot. Bonds3

About N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride

N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119261657) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119261657
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCN1)c1ccccc1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-10(11-6-3-2-4-7-11)15-13(16)12-8-5-9-14-12;/h2-4,6-7,10,12,14H,5,8-9H2,1H3,(H,15,16);1H
InChIKeyYTDSTXDHXAPLIT-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839
(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
(2R)-N-[(1R)-1-[4-(difluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 175925248
(2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119285496
(2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81360819
(2S)-N-benzhydrylpyrrolidine-2-carboxamide
CID 10663256
(2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274665
N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280218
(2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide
CID 101392822

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119261657) is N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride is CC(NC(=O)C1CCCN1)c1ccccc1.Cl.
What is the InChIKey of N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is YTDSTXDHXAPLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-10(11-6-3-2-4-7-11)15-13(16)12-8-5-9-14-12;/h2-4,6-7,10,12,14H,5,8-9H2,1H3,(H,15,16);1H.
What are the key properties of N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride?
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119261657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).