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

C12H16N2O2 — CID 43710720

IUPACN-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1CO)C1CCCN1
InChIInChI=1S/C12H16N2O2/c15-8-9-4-1-2-5-10(9)14-12(16)11-6-3-7-13-11/h1-2,4-5,11,13,15H,3,6-8H2,(H,14,16)
InChIKeyKFQWAPRUVVAEQO-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.87
Rot. Bonds3

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

N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 43710720) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID43710720
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1CO)C1CCCN1
InChIInChI=1S/C12H16N2O2/c15-8-9-4-1-2-5-10(9)14-12(16)11-6-3-7-13-11/h1-2,4-5,11,13,15H,3,6-8H2,(H,14,16)
InChIKeyKFQWAPRUVVAEQO-UHFFFAOYSA-N
XLogP0.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid
CID 62534786
2-[2-(azepane-2-carbonylamino)phenyl]acetic acid
CID 64568355
(2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 61179637
(2R)-N-[2-[(dimethylamino)methyl]phenyl]piperidine-2-carboxamide
CID 104912781
N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide
CID 64563986
N-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43712468
N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 18072250
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide
CID 64563598
N-(2-phenylphenyl)piperidine-2-carboxamide
CID 18072559
N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119305342
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide (CID 43710720) is N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccccc1CO)C1CCCN1.
What is the InChIKey of N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is KFQWAPRUVVAEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-8-9-4-1-2-5-10(9)14-12(16)11-6-3-7-13-11/h1-2,4-5,11,13,15H,3,6-8H2,(H,14,16).
What are the key properties of N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide?
N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43710720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).