2-(3-butanoylpyrrol-1-yl)-N-methyl-N-propan-2-ylacetamide

C14H22N2O2 — CID 79108707

IUPAC2-(3-butanoylpyrrol-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCCCC(=O)c1ccn(CC(=O)N(C)C(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-5-6-13(17)12-7-8-16(9-12)10-14(18)15(4)11(2)3/h7-9,11H,5-6,10H2,1-4H3
InChIKeyVGVVIHLFQSWYRF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.34
Rot. Bonds6

About 2-(3-butanoylpyrrol-1-yl)-N-methyl-N-propan-2-ylacetamide

2-(3-butanoylpyrrol-1-yl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 79108707) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(3-butanoylpyrrol-1-yl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-butanoylpyrrol-1-yl)-N-methyl-N-propan-2-ylacetamide
PubChem CID79108707
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(3-butanoylpyrrol-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCCCC(=O)c1ccn(CC(=O)N(C)C(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-5-6-13(17)12-7-8-16(9-12)10-14(18)15(4)11(2)3/h7-9,11H,5-6,10H2,1-4H3
InChIKeyVGVVIHLFQSWYRF-UHFFFAOYSA-N
XLogP2.34
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 79110021
2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 79102906
2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 79099870
1-[1-[(E)-3-chloro-2-methylprop-2-enyl]pyrrol-3-yl]butan-1-one
CID 106439580
N-ethyl-N-methyl-2-(3-propanoylpyrrol-1-yl)acetamide
CID 79099192
1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]butan-1-one
CID 79109205
1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrol-3-yl]butan-1-one
CID 79109962
1-[2-(diethylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103521
1-[1-[(3-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-one
CID 79105455
1-[1-(2-cyclohexylethyl)pyrrol-3-yl]butan-1-one
CID 114191635
ethyl 2-(3-propanoylpyrrol-1-yl)acetate
CID 79098187
1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one
CID 79108030

Frequently Asked Questions

What is the IUPAC name of 2-(3-butanoylpyrrol-1-yl)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-butanoylpyrrol-1-yl)-N-methyl-N-propan-2-ylacetamide (CID 79108707) is 2-(3-butanoylpyrrol-1-yl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-butanoylpyrrol-1-yl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-butanoylpyrrol-1-yl)-N-methyl-N-propan-2-ylacetamide is CCCC(=O)c1ccn(CC(=O)N(C)C(C)C)c1.
What is the InChIKey of 2-(3-butanoylpyrrol-1-yl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is VGVVIHLFQSWYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-6-13(17)12-7-8-16(9-12)10-14(18)15(4)11(2)3/h7-9,11H,5-6,10H2,1-4H3.
What are the key properties of 2-(3-butanoylpyrrol-1-yl)-N-methyl-N-propan-2-ylacetamide?
2-(3-butanoylpyrrol-1-yl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 250.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butanoylpyrrol-1-yl)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 79108707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).