N-pyrrol-1-ylbutanamide

C8H12N2O — CID 18352167

IUPACN-pyrrol-1-ylbutanamide
SMILESCCCC(=O)Nn1cccc1
InChIInChI=1S/C8H12N2O/c1-2-5-8(11)9-10-6-3-4-7-10/h3-4,6-7H,2,5H2,1H3,(H,9,11)
InChIKeyCHXNZWZIISEOMP-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.36
Rot. Bonds3

About N-pyrrol-1-ylbutanamide

N-pyrrol-1-ylbutanamide (PubChem CID 18352167) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-pyrrol-1-ylbutanamide
PubChem CID18352167
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-pyrrol-1-ylbutanamide
SMILESCCCC(=O)Nn1cccc1
InChIInChI=1S/C8H12N2O/c1-2-5-8(11)9-10-6-3-4-7-10/h3-4,6-7H,2,5H2,1H3,(H,9,11)
InChIKeyCHXNZWZIISEOMP-UHFFFAOYSA-N
XLogP1.36
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pyrrol-1-ylbutanamide?
The IUPAC name of N-pyrrol-1-ylbutanamide (CID 18352167) is N-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-pyrrol-1-ylbutanamide?
The canonical SMILES for N-pyrrol-1-ylbutanamide is CCCC(=O)Nn1cccc1.
What is the InChIKey of N-pyrrol-1-ylbutanamide?
The InChIKey is CHXNZWZIISEOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-5-8(11)9-10-6-3-4-7-10/h3-4,6-7H,2,5H2,1H3,(H,9,11).
What are the key properties of N-pyrrol-1-ylbutanamide?
N-pyrrol-1-ylbutanamide has a molecular weight of 152.20 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrol-1-ylbutanamide is sourced from PubChem (CID 18352167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).