3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide

C10H14N2O2 — CID 115176543

IUPAC3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
SMILESCC(=O)CC(=O)NCCc1cc[nH]c1
InChIInChI=1S/C10H14N2O2/c1-8(13)6-10(14)12-5-3-9-2-4-11-7-9/h2,4,7,11H,3,5-6H2,1H3,(H,12,14)
InChIKeyJGUZNCHZQYRJIB-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.65
Rot. Bonds5

About 3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide

3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide (PubChem CID 115176543) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
PubChem CID115176543
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
SMILESCC(=O)CC(=O)NCCc1cc[nH]c1
InChIInChI=1S/C10H14N2O2/c1-8(13)6-10(14)12-5-3-9-2-4-11-7-9/h2,4,7,11H,3,5-6H2,1H3,(H,12,14)
InChIKeyJGUZNCHZQYRJIB-UHFFFAOYSA-N
XLogP0.65
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 115158043
3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115162634
2-(1H-pyrrol-3-yl)ethylurea
CID 115168515
N-[2-(1H-pyrrol-3-yl)ethyl]carbamoyl chloride
CID 115194921
2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 110789370
N-(2-acetamidoethyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769164
N-[2-(4-methylphenyl)ethyl]-3-oxobutanamide
CID 115176502
2-(2-methoxyphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 110789371
2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 110789402
N-[2-(4-bromophenyl)ethyl]-3-oxobutanamide
CID 115176509
N-butyl-4-(1H-pyrrol-3-yl)butanamide
CID 166152898
N-[2-(3,4-dimethylphenyl)ethyl]-3-oxobutanamide
CID 115176506

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide?
The IUPAC name of 3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide (CID 115176543) is 3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide.
What is the SMILES notation for 3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide?
The canonical SMILES for 3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide is CC(=O)CC(=O)NCCc1cc[nH]c1.
What is the InChIKey of 3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide?
The InChIKey is JGUZNCHZQYRJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(13)6-10(14)12-5-3-9-2-4-11-7-9/h2,4,7,11H,3,5-6H2,1H3,(H,12,14).
What are the key properties of 3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide?
3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide has a molecular weight of 194.23 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide is sourced from PubChem (CID 115176543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).