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

C12H16N2O2 — CID 86258408

IUPAC1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide
SMILESCc1c(O)cccc1N1CCC(C(N)=O)C1
InChIInChI=1S/C12H16N2O2/c1-8-10(3-2-4-11(8)15)14-6-5-9(7-14)12(13)16/h2-4,9,15H,5-7H2,1H3,(H2,13,16)
InChIKeyQBGDTSBJKPJBRG-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.01
Rot. Bonds2

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

1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide (PubChem CID 86258408) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide
PubChem CID86258408
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide
SMILESCc1c(O)cccc1N1CCC(C(N)=O)C1
InChIInChI=1S/C12H16N2O2/c1-8-10(3-2-4-11(8)15)14-6-5-9(7-14)12(13)16/h2-4,9,15H,5-7H2,1H3,(H2,13,16)
InChIKeyQBGDTSBJKPJBRG-UHFFFAOYSA-N
XLogP1.01
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 77230471
1-(3-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 86258315
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168
1-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 117008259
1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 117008187
1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257847
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide
CID 108532094
1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide
CID 117008153
1-[2-(hydroxymethyl)-4-methylphenyl]pyrrolidine-3-carboxamide
CID 114082229
1-(1H-pyrrol-2-yl)pyrrolidine-3-carboxamide
CID 122445937
1-(2,6-diethylphenyl)piperidine-3-carboxamide
CID 117008267
1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 117008174

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide (CID 86258408) is 1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide is Cc1c(O)cccc1N1CCC(C(N)=O)C1.
What is the InChIKey of 1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is QBGDTSBJKPJBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-10(3-2-4-11(8)15)14-6-5-9(7-14)12(13)16/h2-4,9,15H,5-7H2,1H3,(H2,13,16).
What are the key properties of 1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide?
1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 86258408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).