N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide

C12H16N2O2 — CID 112725657

IUPACN-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(CO)c1)N1CCCC1
InChIInChI=1S/C12H16N2O2/c15-9-10-4-3-5-11(8-10)13-12(16)14-6-1-2-7-14/h3-5,8,15H,1-2,6-7,9H2,(H,13,16)
InChIKeyZUMDOZKKDABGEK-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.81
Rot. Bonds2

About N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide

N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 112725657) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID112725657
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(CO)c1)N1CCCC1
InChIInChI=1S/C12H16N2O2/c15-9-10-4-3-5-11(8-10)13-12(16)14-6-1-2-7-14/h3-5,8,15H,1-2,6-7,9H2,(H,13,16)
InChIKeyZUMDOZKKDABGEK-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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CID 79151936
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CID 115581934
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N-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 135144227
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride
CID 119743688
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 119743695
N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 60524787
N-[3-[[[N'-methyl-N-[(3-methylphenyl)methyl]carbamimidoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 111899803
N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide
CID 43133032
N-(3-ethylphenyl)thiomorpholine-4-carboxamide
CID 3537953
N-[3-[[[amino-(3,5-dimethylanilino)methylidene]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 111076620

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide (CID 112725657) is N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1cccc(CO)c1)N1CCCC1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is ZUMDOZKKDABGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-9-10-4-3-5-11(8-10)13-12(16)14-6-1-2-7-14/h3-5,8,15H,1-2,6-7,9H2,(H,13,16).
What are the key properties of N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide?
N-[3-(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-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 112725657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).