1-butan-2-yl-2,5-dimethylpyrrole-3-carboxamide

C11H18N2O — CID 3928083

IUPAC1-butan-2-yl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCC(C)n1c(C)cc(C(N)=O)c1C
InChIInChI=1S/C11H18N2O/c1-5-7(2)13-8(3)6-10(9(13)4)11(12)14/h6-7H,5H2,1-4H3,(H2,12,14)
InChIKeyNPLVCSBWZHWULY-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.17
Rot. Bonds3

About 1-butan-2-yl-2,5-dimethylpyrrole-3-carboxamide

1-butan-2-yl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 3928083) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-butan-2-yl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID3928083
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-butan-2-yl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCC(C)n1c(C)cc(C(N)=O)c1C
InChIInChI=1S/C11H18N2O/c1-5-7(2)13-8(3)6-10(9(13)4)11(12)14/h6-7H,5H2,1-4H3,(H2,12,14)
InChIKeyNPLVCSBWZHWULY-UHFFFAOYSA-N
XLogP2.17
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-butan-2-yl-2,5-dimethylpyrrole-3-carboxamide (CID 3928083) is 1-butan-2-yl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-butan-2-yl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-butan-2-yl-2,5-dimethylpyrrole-3-carboxamide is CCC(C)n1c(C)cc(C(N)=O)c1C.
What is the InChIKey of 1-butan-2-yl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is NPLVCSBWZHWULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-7(2)13-8(3)6-10(9(13)4)11(12)14/h6-7H,5H2,1-4H3,(H2,12,14).
What are the key properties of 1-butan-2-yl-2,5-dimethylpyrrole-3-carboxamide?
1-butan-2-yl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 3928083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).