2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide

C9H14N2O — CID 110374909

IUPAC2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide
SMILESCC(C)C(=O)NCc1ccc[nH]1
InChIInChI=1S/C9H14N2O/c1-7(2)9(12)11-6-8-4-3-5-10-8/h3-5,7,10H,6H2,1-2H3,(H,11,12)
InChIKeySAAHFWXPVBMABY-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.29
Rot. Bonds3

About 2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide

2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide (PubChem CID 110374909) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide
PubChem CID110374909
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide
SMILESCC(C)C(=O)NCc1ccc[nH]1
InChIInChI=1S/C9H14N2O/c1-7(2)9(12)11-6-8-4-3-5-10-8/h3-5,7,10H,6H2,1-2H3,(H,11,12)
InChIKeySAAHFWXPVBMABY-UHFFFAOYSA-N
XLogP1.29
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-propyl-N-(1H-pyrrol-2-ylmethyl)pentanamide
CID 75431827
4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide
CID 115156710
(2R)-2-(4-chlorophenoxy)-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 95934284
N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345
N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide
CID 115167176
ethyl N-(1H-pyrrol-2-ylmethyl)carbamate
CID 110374915
2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide
CID 115157893
N-[(2-ethylphenyl)methyl]-2-methylpropanamide
CID 64694185
2-amino-4-oxo-4-(1H-pyrrol-2-ylmethylamino)butanoic acid
CID 115181073
3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide
CID 115189153
N-benzyl-2-methylpropanamide;methane
CID 160760567
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide?
The IUPAC name of 2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide (CID 110374909) is 2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide?
The canonical SMILES for 2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide is CC(C)C(=O)NCc1ccc[nH]1.
What is the InChIKey of 2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide?
The InChIKey is SAAHFWXPVBMABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(2)9(12)11-6-8-4-3-5-10-8/h3-5,7,10H,6H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide?
2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide has a molecular weight of 166.22 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide is sourced from PubChem (CID 110374909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).