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

C12H16N2O3 — CID 86258315

IUPAC1-(3-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1c(O)cccc1N1CCC(C(N)=O)C1
InChIInChI=1S/C12H16N2O3/c1-17-11-9(3-2-4-10(11)15)14-6-5-8(7-14)12(13)16/h2-4,8,15H,5-7H2,1H3,(H2,13,16)
InChIKeyWLTKIMCBSPKXRP-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.71
Rot. Bonds3

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

1-(3-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 86258315) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID86258315
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-(3-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1c(O)cccc1N1CCC(C(N)=O)C1
InChIInChI=1S/C12H16N2O3/c1-17-11-9(3-2-4-10(11)15)14-6-5-8(7-14)12(13)16/h2-4,8,15H,5-7H2,1H3,(H2,13,16)
InChIKeyWLTKIMCBSPKXRP-UHFFFAOYSA-N
XLogP0.71
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide
CID 86258408
1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 77230471
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168
1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 117008187
1-(1H-pyrrol-2-yl)pyrrolidine-3-carboxamide
CID 122445937
1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide
CID 133283487
1-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 117008259
1-(2,6-diethylphenyl)piperidine-3-carboxamide
CID 117008267
1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257847
1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide
CID 117008153
1-(4-ethylphenyl)pyrrolidine-3-carboxamide
CID 117008157
1-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 117008321

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxamide (CID 86258315) is 1-(3-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxamide is COc1c(O)cccc1N1CCC(C(N)=O)C1.
What is the InChIKey of 1-(3-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is WLTKIMCBSPKXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-11-9(3-2-4-10(11)15)14-6-5-8(7-14)12(13)16/h2-4,8,15H,5-7H2,1H3,(H2,13,16).
What are the key properties of 1-(3-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxamide?
1-(3-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 86258315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).