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

C12H16N2O2 — CID 79161334

IUPACN-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1CO)N1CCCC1
InChIInChI=1S/C12H16N2O2/c15-9-10-5-1-2-6-11(10)13-12(16)14-7-3-4-8-14/h1-2,5-6,15H,3-4,7-9H2,(H,13,16)
InChIKeyBHNZJEMHABURRL-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.81
Rot. Bonds2

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

N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 79161334) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID79161334
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1CO)N1CCCC1
InChIInChI=1S/C12H16N2O2/c15-9-10-5-1-2-6-11(10)13-12(16)14-7-3-4-8-14/h1-2,5-6,15H,3-4,7-9H2,(H,13,16)
InChIKeyBHNZJEMHABURRL-UHFFFAOYSA-N
XLogP1.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide
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N-(2-methylphenyl)azepane-1-carboxamide
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1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 60655294
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CID 112724111
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 119736029
4-(5-cyclopropylpyrazol-1-yl)-N-[2-(hydroxymethyl)phenyl]piperidine-1-carboxamide
CID 141163303
N-[2-(aminomethyl)phenyl]piperazine-1-carboxamide
CID 174500073
N-[2-[[(2R)-2-butylsulfanylpropanoyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 94802493

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide (CID 79161334) is N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccccc1CO)N1CCCC1.
What is the InChIKey of N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is BHNZJEMHABURRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-9-10-5-1-2-6-11(10)13-12(16)14-7-3-4-8-14/h1-2,5-6,15H,3-4,7-9H2,(H,13,16).
What are the key properties of N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide?
N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 79161334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).