N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide

C12H16N2O2 — CID 79602150

IUPACN-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN2)c1O
InChIInChI=1S/C12H16N2O2/c1-8-4-2-5-9(11(8)15)14-12(16)10-6-3-7-13-10/h2,4-5,10,13,15H,3,6-7H2,1H3,(H,14,16)
InChIKeyOWDVCOURPNZDCI-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.39
Rot. Bonds2

About N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide

N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 79602150) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID79602150
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN2)c1O
InChIInChI=1S/C12H16N2O2/c1-8-4-2-5-9(11(8)15)14-12(16)10-6-3-7-13-10/h2,4-5,10,13,15H,3,6-7H2,1H3,(H,14,16)
InChIKeyOWDVCOURPNZDCI-UHFFFAOYSA-N
XLogP1.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902
2-methyl-6-[[(2S)-pyrrolidine-2-carbonyl]amino]benzoic acid
CID 53360304
N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43710389
(2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 61179515
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
(2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 103794811
N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 79602563
N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 89036511
N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281809
N-(2,6-dimethylphenyl)azepane-2-carboxamide
CID 64562214
(2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide
CID 104901241
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide (CID 79602150) is N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide is Cc1cccc(NC(=O)C2CCCN2)c1O.
What is the InChIKey of N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is OWDVCOURPNZDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-4-2-5-9(11(8)15)14-12(16)10-6-3-7-13-10/h2,4-5,10,13,15H,3,6-7H2,1H3,(H,14,16).
What are the key properties of N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide?
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 79602150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).