4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide

C10H15N3O — CID 114614945

IUPAC4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
SMILESC=C(C)CNC(=O)c1cc(N)cn1C
InChIInChI=1S/C10H15N3O/c1-7(2)5-12-10(14)9-4-8(11)6-13(9)3/h4,6H,1,5,11H2,2-3H3,(H,12,14)
InChIKeyAVTIMKAPKMOMOH-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.91
Rot. Bonds3

About 4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide

4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide (PubChem CID 114614945) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
PubChem CID114614945
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
SMILESC=C(C)CNC(=O)c1cc(N)cn1C
InChIInChI=1S/C10H15N3O/c1-7(2)5-12-10(14)9-4-8(11)6-13(9)3/h4,6H,1,5,11H2,2-3H3,(H,12,14)
InChIKeyAVTIMKAPKMOMOH-UHFFFAOYSA-N
XLogP0.91
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114614959
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
4-amino-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 85397824
4-amino-1-methyl-N-octylpyrrole-2-carboxamide
CID 115565894
methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 43665875
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1-methylpyrrole-2-carboxamide
CID 106164382
4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide
CID 65103767
4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide
CID 70121205
4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide;dihydrochloride
CID 70121204
4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 43643164
4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide
CID 106118881

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide (CID 114614945) is 4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide is C=C(C)CNC(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide?
The InChIKey is AVTIMKAPKMOMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)5-12-10(14)9-4-8(11)6-13(9)3/h4,6H,1,5,11H2,2-3H3,(H,12,14).
What are the key properties of 4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide?
4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide has a molecular weight of 193.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114614945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).