2-methyl-N-(2-pyrrol-1-ylethyl)propanamide

C10H16N2O — CID 12741624

IUPAC2-methyl-N-(2-pyrrol-1-ylethyl)propanamide
SMILESCC(C)C(=O)NCCn1cccc1
InChIInChI=1S/C10H16N2O/c1-9(2)10(13)11-5-8-12-6-3-4-7-12/h3-4,6-7,9H,5,8H2,1-2H3,(H,11,13)
InChIKeyCOWAHMOWACSAFX-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.26
Rot. Bonds4

About 2-methyl-N-(2-pyrrol-1-ylethyl)propanamide

2-methyl-N-(2-pyrrol-1-ylethyl)propanamide (PubChem CID 12741624) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methyl-N-(2-pyrrol-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-pyrrol-1-ylethyl)propanamide
PubChem CID12741624
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-methyl-N-(2-pyrrol-1-ylethyl)propanamide
SMILESCC(C)C(=O)NCCn1cccc1
InChIInChI=1S/C10H16N2O/c1-9(2)10(13)11-5-8-12-6-3-4-7-12/h3-4,6-7,9H,5,8H2,1-2H3,(H,11,13)
InChIKeyCOWAHMOWACSAFX-UHFFFAOYSA-N
XLogP1.26
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyrrol-1-ylethyl)propanamide?
The IUPAC name of 2-methyl-N-(2-pyrrol-1-ylethyl)propanamide (CID 12741624) is 2-methyl-N-(2-pyrrol-1-ylethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-pyrrol-1-ylethyl)propanamide?
The canonical SMILES for 2-methyl-N-(2-pyrrol-1-ylethyl)propanamide is CC(C)C(=O)NCCn1cccc1.
What is the InChIKey of 2-methyl-N-(2-pyrrol-1-ylethyl)propanamide?
The InChIKey is COWAHMOWACSAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9(2)10(13)11-5-8-12-6-3-4-7-12/h3-4,6-7,9H,5,8H2,1-2H3,(H,11,13).
What are the key properties of 2-methyl-N-(2-pyrrol-1-ylethyl)propanamide?
2-methyl-N-(2-pyrrol-1-ylethyl)propanamide has a molecular weight of 180.25 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyrrol-1-ylethyl)propanamide is sourced from PubChem (CID 12741624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).