N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide

C13H14N2O2 — CID 63311038

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1cccc(CO)c1)c1ccc[nH]1
InChIInChI=1S/C13H14N2O2/c16-9-11-4-1-3-10(7-11)8-15-13(17)12-5-2-6-14-12/h1-7,14,16H,8-9H2,(H,15,17)
InChIKeySCYMIHCZZYXQFI-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.44
Rot. Bonds4

About N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide

N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 63311038) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID63311038
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1cccc(CO)c1)c1ccc[nH]1
InChIInChI=1S/C13H14N2O2/c16-9-11-4-1-3-10(7-11)8-15-13(17)12-5-2-6-14-12/h1-7,14,16H,8-9H2,(H,15,17)
InChIKeySCYMIHCZZYXQFI-UHFFFAOYSA-N
XLogP1.44
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 110470852
3-[3-[(1H-pyrrole-2-carbonylamino)methyl]phenyl]prop-2-enoic acid
CID 76906056
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
N-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 110480990
N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345
N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55204470
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 110480964
2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 100695919
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide
CID 115663338
3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103956150

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide (CID 63311038) is N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide is O=C(NCc1cccc(CO)c1)c1ccc[nH]1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is SCYMIHCZZYXQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-9-11-4-1-3-10(7-11)8-15-13(17)12-5-2-6-14-12/h1-7,14,16H,8-9H2,(H,15,17).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 63311038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).