N-(1H-pyrrol-3-ylmethyl)propanamide

C8H12N2O — CID 110782638

IUPACN-(1H-pyrrol-3-ylmethyl)propanamide
SMILESCCC(=O)NCc1cc[nH]c1
InChIInChI=1S/C8H12N2O/c1-2-8(11)10-6-7-3-4-9-5-7/h3-5,9H,2,6H2,1H3,(H,10,11)
InChIKeyFDDFPJRBESPPHQ-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.04
Rot. Bonds3

About N-(1H-pyrrol-3-ylmethyl)propanamide

N-(1H-pyrrol-3-ylmethyl)propanamide (PubChem CID 110782638) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-(1H-pyrrol-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(1H-pyrrol-3-ylmethyl)propanamide
PubChem CID110782638
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-(1H-pyrrol-3-ylmethyl)propanamide
SMILESCCC(=O)NCc1cc[nH]c1
InChIInChI=1S/C8H12N2O/c1-2-8(11)10-6-7-3-4-9-5-7/h3-5,9H,2,6H2,1H3,(H,10,11)
InChIKeyFDDFPJRBESPPHQ-UHFFFAOYSA-N
XLogP1.04
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384830
N-(1H-pyrrol-3-ylmethyl)but-3-ynamide
CID 106385791
3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639
2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110782649
N-(1H-pyrrol-3-ylmethyl)but-3-enamide
CID 106385805
2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384971
2-bromo-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384571
3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384947
5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384569
N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide
CID 106385371
2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 83530042
3-methyl-N-(1H-pyrrol-3-ylmethyl)but-2-enamide
CID 106385306

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-ylmethyl)propanamide?
The IUPAC name of N-(1H-pyrrol-3-ylmethyl)propanamide (CID 110782638) is N-(1H-pyrrol-3-ylmethyl)propanamide.
What is the SMILES notation for N-(1H-pyrrol-3-ylmethyl)propanamide?
The canonical SMILES for N-(1H-pyrrol-3-ylmethyl)propanamide is CCC(=O)NCc1cc[nH]c1.
What is the InChIKey of N-(1H-pyrrol-3-ylmethyl)propanamide?
The InChIKey is FDDFPJRBESPPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-8(11)10-6-7-3-4-9-5-7/h3-5,9H,2,6H2,1H3,(H,10,11).
What are the key properties of N-(1H-pyrrol-3-ylmethyl)propanamide?
N-(1H-pyrrol-3-ylmethyl)propanamide has a molecular weight of 152.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-3-ylmethyl)propanamide is sourced from PubChem (CID 110782638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).