1-[2-(hydroxymethyl)-4-methylphenyl]pyrrolidine-3-carboxamide

C13H18N2O2 — CID 114082229

IUPAC1-[2-(hydroxymethyl)-4-methylphenyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(N)=O)C2)c(CO)c1
InChIInChI=1S/C13H18N2O2/c1-9-2-3-12(11(6-9)8-16)15-5-4-10(7-15)13(14)17/h2-3,6,10,16H,4-5,7-8H2,1H3,(H2,14,17)
InChIKeyPXWBTEITKRKGTI-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.80
Rot. Bonds3

About 1-[2-(hydroxymethyl)-4-methylphenyl]pyrrolidine-3-carboxamide

1-[2-(hydroxymethyl)-4-methylphenyl]pyrrolidine-3-carboxamide (PubChem CID 114082229) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-4-methylphenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-4-methylphenyl]pyrrolidine-3-carboxamide
PubChem CID114082229
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[2-(hydroxymethyl)-4-methylphenyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(N)=O)C2)c(CO)c1
InChIInChI=1S/C13H18N2O2/c1-9-2-3-12(11(6-9)8-16)15-5-4-10(7-15)13(14)17/h2-3,6,10,16H,4-5,7-8H2,1H3,(H2,14,17)
InChIKeyPXWBTEITKRKGTI-UHFFFAOYSA-N
XLogP0.80
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide
CID 107926802
1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide
CID 117008153
1-(2-cyano-4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 107926648
1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide
CID 86258408
1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 117008174
1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one
CID 117309875
1-(4-ethylphenyl)pyrrolidine-3-carboxamide
CID 117008157
1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]pyrrolidine-3-carboxamide
CID 114082228
ethyl 1-(2-cyano-4-methylphenyl)piperidine-4-carboxylate
CID 107926994
[1-[2-(hydroxymethyl)-4-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 114054518
1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol
CID 114055065
1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide
CID 114081662

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-4-methylphenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(hydroxymethyl)-4-methylphenyl]pyrrolidine-3-carboxamide (CID 114082229) is 1-[2-(hydroxymethyl)-4-methylphenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(hydroxymethyl)-4-methylphenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(hydroxymethyl)-4-methylphenyl]pyrrolidine-3-carboxamide is Cc1ccc(N2CCC(C(N)=O)C2)c(CO)c1.
What is the InChIKey of 1-[2-(hydroxymethyl)-4-methylphenyl]pyrrolidine-3-carboxamide?
The InChIKey is PXWBTEITKRKGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-2-3-12(11(6-9)8-16)15-5-4-10(7-15)13(14)17/h2-3,6,10,16H,4-5,7-8H2,1H3,(H2,14,17).
What are the key properties of 1-[2-(hydroxymethyl)-4-methylphenyl]pyrrolidine-3-carboxamide?
1-[2-(hydroxymethyl)-4-methylphenyl]pyrrolidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-4-methylphenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 114082229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).