2-methyl-3-(pyrrol-1-ylamino)propanamide

C8H13N3O — CID 79100502

IUPAC2-methyl-3-(pyrrol-1-ylamino)propanamide
SMILESCC(CNn1cccc1)C(N)=O
InChIInChI=1S/C8H13N3O/c1-7(8(9)12)6-10-11-4-2-3-5-11/h2-5,7,10H,6H2,1H3,(H2,9,12)
InChIKeyYRZCVEZAHZTJCV-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.15
Rot. Bonds4

About 2-methyl-3-(pyrrol-1-ylamino)propanamide

2-methyl-3-(pyrrol-1-ylamino)propanamide (PubChem CID 79100502) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-methyl-3-(pyrrol-1-ylamino)propanamide.

Molecular Properties

Compound Name2-methyl-3-(pyrrol-1-ylamino)propanamide
PubChem CID79100502
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-methyl-3-(pyrrol-1-ylamino)propanamide
SMILESCC(CNn1cccc1)C(N)=O
InChIInChI=1S/C8H13N3O/c1-7(8(9)12)6-10-11-4-2-3-5-11/h2-5,7,10H,6H2,1H3,(H2,9,12)
InChIKeyYRZCVEZAHZTJCV-UHFFFAOYSA-N
XLogP0.15
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pyrrol-1-ylamino)propanamide?
The IUPAC name of 2-methyl-3-(pyrrol-1-ylamino)propanamide (CID 79100502) is 2-methyl-3-(pyrrol-1-ylamino)propanamide.
What is the SMILES notation for 2-methyl-3-(pyrrol-1-ylamino)propanamide?
The canonical SMILES for 2-methyl-3-(pyrrol-1-ylamino)propanamide is CC(CNn1cccc1)C(N)=O.
What is the InChIKey of 2-methyl-3-(pyrrol-1-ylamino)propanamide?
The InChIKey is YRZCVEZAHZTJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7(8(9)12)6-10-11-4-2-3-5-11/h2-5,7,10H,6H2,1H3,(H2,9,12).
What are the key properties of 2-methyl-3-(pyrrol-1-ylamino)propanamide?
2-methyl-3-(pyrrol-1-ylamino)propanamide has a molecular weight of 167.21 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pyrrol-1-ylamino)propanamide is sourced from PubChem (CID 79100502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).