1-(3-methylphenyl)pyrrolidine-2-carboxamide

C12H16N2O — CID 15157503

IUPAC1-(3-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(N2CCCC2C(N)=O)c1
InChIInChI=1S/C12H16N2O/c1-9-4-2-5-10(8-9)14-7-3-6-11(14)12(13)15/h2,4-5,8,11H,3,6-7H2,1H3,(H2,13,15)
InChIKeyBAZKOODHRWZGGU-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.45
Rot. Bonds2

About 1-(3-methylphenyl)pyrrolidine-2-carboxamide

1-(3-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 15157503) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(3-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID15157503
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(3-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(N2CCCC2C(N)=O)c1
InChIInChI=1S/C12H16N2O/c1-9-4-2-5-10(8-9)14-7-3-6-11(14)12(13)15/h2,4-5,8,11H,3,6-7H2,1H3,(H2,13,15)
InChIKeyBAZKOODHRWZGGU-UHFFFAOYSA-N
XLogP1.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyano-3-methylphenyl)pyrrolidine-2-carboxamide
CID 81281732
(2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 28822622
1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 86258443
1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide
CID 55039017
1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide
CID 114016618
1-[3-methyl-4-(methylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 62135010
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide
CID 79603236
2-[(2S)-1-(3-methylphenyl)pyrrolidin-2-yl]ethanamine
CID 96618274
1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 55156459
1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide
CID 113295375
(2S)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine-2-carboxamide
CID 110867520

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-methylphenyl)pyrrolidine-2-carboxamide (CID 15157503) is 1-(3-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)pyrrolidine-2-carboxamide is Cc1cccc(N2CCCC2C(N)=O)c1.
What is the InChIKey of 1-(3-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is BAZKOODHRWZGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-4-2-5-10(8-9)14-7-3-6-11(14)12(13)15/h2,4-5,8,11H,3,6-7H2,1H3,(H2,13,15).
What are the key properties of 1-(3-methylphenyl)pyrrolidine-2-carboxamide?
1-(3-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 204.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 15157503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).