1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide

C12H16N2O2 — CID 43121111

IUPAC1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1ccccc1CO
InChIInChI=1S/C12H16N2O2/c13-12(16)11-6-3-7-14(11)10-5-2-1-4-9(10)8-15/h1-2,4-5,11,15H,3,6-8H2,(H2,13,16)
InChIKeyUVYNNHXPZATPJA-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.63
Rot. Bonds3

About 1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide

1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 43121111) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID43121111
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1ccccc1CO
InChIInChI=1S/C12H16N2O2/c13-12(16)11-6-3-7-14(11)10-5-2-1-4-9(10)8-15/h1-2,4-5,11,15H,3,6-8H2,(H2,13,16)
InChIKeyUVYNNHXPZATPJA-UHFFFAOYSA-N
XLogP0.63
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide
CID 43281467
1-[3-fluoro-2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 114065236
1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide
CID 114061383
1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide
CID 62493299
[2-(2-ethylpyrrolidin-1-yl)phenyl]methanol
CID 60973877
1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide
CID 114016618
1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide
CID 55039017
1-(3-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide
CID 62663626
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 142687635
(2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 28822622
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 163343391

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide (CID 43121111) is 1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1c1ccccc1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is UVYNNHXPZATPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-12(16)11-6-3-7-14(11)10-5-2-1-4-9(10)8-15/h1-2,4-5,11,15H,3,6-8H2,(H2,13,16).
What are the key properties of 1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide?
1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43121111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).