N-butanoyl-5-methyl-2,3-dihydropyrrole-1-carboxamide

C10H16N2O2 — CID 143356012

IUPACN-butanoyl-5-methyl-2,3-dihydropyrrole-1-carboxamide
SMILESCCCC(=O)NC(=O)N1CCC=C1C
InChIInChI=1S/C10H16N2O2/c1-3-5-9(13)11-10(14)12-7-4-6-8(12)2/h6H,3-5,7H2,1-2H3,(H,11,13,14)
InChIKeyXWUPXWPJNIYSGK-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.63
Rot. Bonds2

About N-butanoyl-5-methyl-2,3-dihydropyrrole-1-carboxamide

N-butanoyl-5-methyl-2,3-dihydropyrrole-1-carboxamide (PubChem CID 143356012) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-butanoyl-5-methyl-2,3-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound NameN-butanoyl-5-methyl-2,3-dihydropyrrole-1-carboxamide
PubChem CID143356012
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-butanoyl-5-methyl-2,3-dihydropyrrole-1-carboxamide
SMILESCCCC(=O)NC(=O)N1CCC=C1C
InChIInChI=1S/C10H16N2O2/c1-3-5-9(13)11-10(14)12-7-4-6-8(12)2/h6H,3-5,7H2,1-2H3,(H,11,13,14)
InChIKeyXWUPXWPJNIYSGK-UHFFFAOYSA-N
XLogP1.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2Z)-N-(1-aminoethyl)-2-ethylidene-5-oxo-N-propan-2-ylpyrrolidine-1-carboxamide
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N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-butanoyl-5-methyl-2,3-dihydropyrrole-1-carboxamide?
The IUPAC name of N-butanoyl-5-methyl-2,3-dihydropyrrole-1-carboxamide (CID 143356012) is N-butanoyl-5-methyl-2,3-dihydropyrrole-1-carboxamide.
What is the SMILES notation for N-butanoyl-5-methyl-2,3-dihydropyrrole-1-carboxamide?
The canonical SMILES for N-butanoyl-5-methyl-2,3-dihydropyrrole-1-carboxamide is CCCC(=O)NC(=O)N1CCC=C1C.
What is the InChIKey of N-butanoyl-5-methyl-2,3-dihydropyrrole-1-carboxamide?
The InChIKey is XWUPXWPJNIYSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-5-9(13)11-10(14)12-7-4-6-8(12)2/h6H,3-5,7H2,1-2H3,(H,11,13,14).
What are the key properties of N-butanoyl-5-methyl-2,3-dihydropyrrole-1-carboxamide?
N-butanoyl-5-methyl-2,3-dihydropyrrole-1-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butanoyl-5-methyl-2,3-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 143356012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).