N-ethenyl-3-methyl-4-methylidenepyrrole-2-carboxamide

C9H10N2O — CID 126593311

IUPACN-ethenyl-3-methyl-4-methylidenepyrrole-2-carboxamide
SMILESC=CNC(=O)C1=C(C)C(=C)C=N1
InChIInChI=1S/C9H10N2O/c1-4-10-9(12)8-7(3)6(2)5-11-8/h4-5H,1-2H2,3H3,(H,10,12)
InChIKeyKQORUNMYOUIHIM-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.16
Rot. Bonds2

About N-ethenyl-3-methyl-4-methylidenepyrrole-2-carboxamide

N-ethenyl-3-methyl-4-methylidenepyrrole-2-carboxamide (PubChem CID 126593311) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is N-ethenyl-3-methyl-4-methylidenepyrrole-2-carboxamide.

Molecular Properties

Compound NameN-ethenyl-3-methyl-4-methylidenepyrrole-2-carboxamide
PubChem CID126593311
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC NameN-ethenyl-3-methyl-4-methylidenepyrrole-2-carboxamide
SMILESC=CNC(=O)C1=C(C)C(=C)C=N1
InChIInChI=1S/C9H10N2O/c1-4-10-9(12)8-7(3)6(2)5-11-8/h4-5H,1-2H2,3H3,(H,10,12)
InChIKeyKQORUNMYOUIHIM-UHFFFAOYSA-N
XLogP1.16
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-methyl-4-methylidenepyrrole-2-carboxamide?
The IUPAC name of N-ethenyl-3-methyl-4-methylidenepyrrole-2-carboxamide (CID 126593311) is N-ethenyl-3-methyl-4-methylidenepyrrole-2-carboxamide.
What is the SMILES notation for N-ethenyl-3-methyl-4-methylidenepyrrole-2-carboxamide?
The canonical SMILES for N-ethenyl-3-methyl-4-methylidenepyrrole-2-carboxamide is C=CNC(=O)C1=C(C)C(=C)C=N1.
What is the InChIKey of N-ethenyl-3-methyl-4-methylidenepyrrole-2-carboxamide?
The InChIKey is KQORUNMYOUIHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-4-10-9(12)8-7(3)6(2)5-11-8/h4-5H,1-2H2,3H3,(H,10,12).
What are the key properties of N-ethenyl-3-methyl-4-methylidenepyrrole-2-carboxamide?
N-ethenyl-3-methyl-4-methylidenepyrrole-2-carboxamide has a molecular weight of 162.19 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-methyl-4-methylidenepyrrole-2-carboxamide is sourced from PubChem (CID 126593311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).