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

C11H17N3O — CID 114614959

IUPAC4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
SMILESC=C(C)CNC(=O)c1cc(N)cn1CC
InChIInChI=1S/C11H17N3O/c1-4-14-7-9(12)5-10(14)11(15)13-6-8(2)3/h5,7H,2,4,6,12H2,1,3H3,(H,13,15)
InChIKeyWJTJSUKKWNRLOG-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.40
Rot. Bonds4

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

4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide (PubChem CID 114614959) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
PubChem CID114614959
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
SMILESC=C(C)CNC(=O)c1cc(N)cn1CC
InChIInChI=1S/C11H17N3O/c1-4-14-7-9(12)5-10(14)11(15)13-6-8(2)3/h5,7H,2,4,6,12H2,1,3H3,(H,13,15)
InChIKeyWJTJSUKKWNRLOG-UHFFFAOYSA-N
XLogP1.40
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.40
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-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114614945
4-amino-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 93254371
4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide
CID 43643619
4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 63228692
4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide
CID 106249305
4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide
CID 113478489
4-amino-N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 60779952
4-amino-1-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
CID 106425287
4-amino-1-ethyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
CID 107150585
4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide
CID 113483947
4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43641881
4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide
CID 93254381

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide (CID 114614959) is 4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide is C=C(C)CNC(=O)c1cc(N)cn1CC.
What is the InChIKey of 4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide?
The InChIKey is WJTJSUKKWNRLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-14-7-9(12)5-10(14)11(15)13-6-8(2)3/h5,7H,2,4,6,12H2,1,3H3,(H,13,15).
What are the key properties of 4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide?
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114614959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).