5,5-dimethylpyrrole-3-carboxamide

C7H10N2O — CID 174661054

IUPAC5,5-dimethylpyrrole-3-carboxamide
SMILESCC1(C)C=C(C(N)=O)C=N1
InChIInChI=1S/C7H10N2O/c1-7(2)3-5(4-9-7)6(8)10/h3-4H,1-2H3,(H2,8,10)
InChIKeyMKASFMOUHJUOQR-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.26
Rot. Bonds1

About 5,5-dimethylpyrrole-3-carboxamide

5,5-dimethylpyrrole-3-carboxamide (PubChem CID 174661054) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 5,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5,5-dimethylpyrrole-3-carboxamide
PubChem CID174661054
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name5,5-dimethylpyrrole-3-carboxamide
SMILESCC1(C)C=C(C(N)=O)C=N1
InChIInChI=1S/C7H10N2O/c1-7(2)3-5(4-9-7)6(8)10/h3-4H,1-2H3,(H2,8,10)
InChIKeyMKASFMOUHJUOQR-UHFFFAOYSA-N
XLogP0.26
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 5,5-dimethylpyrrole-3-carboxamide (CID 174661054) is 5,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 5,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 5,5-dimethylpyrrole-3-carboxamide is CC1(C)C=C(C(N)=O)C=N1.
What is the InChIKey of 5,5-dimethylpyrrole-3-carboxamide?
The InChIKey is MKASFMOUHJUOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-7(2)3-5(4-9-7)6(8)10/h3-4H,1-2H3,(H2,8,10).
What are the key properties of 5,5-dimethylpyrrole-3-carboxamide?
5,5-dimethylpyrrole-3-carboxamide has a molecular weight of 138.17 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 174661054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).