(4Z,5E)-N-ethyl-5-ethylidene-N-methyl-4-prop-2-enylidene-1H-pyrrole-2-carboxamide

C13H18N2O — CID 142389866

IUPAC(4Z,5E)-N-ethyl-5-ethylidene-N-methyl-4-prop-2-enylidene-1H-pyrrole-2-carboxamide
SMILESC=C/C=c1/cc(C(=O)N(C)CC)[nH]/c1=C/C
InChIInChI=1S/C13H18N2O/c1-5-8-10-9-12(14-11(10)6-2)13(16)15(4)7-3/h5-6,8-9,14H,1,7H2,2-4H3/b10-8-,11-6+
InChIKeyJJUDURDCEJMXKK-DEUQGVHJSA-N
MW218.30 g/mol
LogP0.87
Rot. Bonds3

About (4Z,5E)-N-ethyl-5-ethylidene-N-methyl-4-prop-2-enylidene-1H-pyrrole-2-carboxamide

(4Z,5E)-N-ethyl-5-ethylidene-N-methyl-4-prop-2-enylidene-1H-pyrrole-2-carboxamide (PubChem CID 142389866) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (4Z,5E)-N-ethyl-5-ethylidene-N-methyl-4-prop-2-enylidene-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name(4Z,5E)-N-ethyl-5-ethylidene-N-methyl-4-prop-2-enylidene-1H-pyrrole-2-carboxamide
PubChem CID142389866
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(4Z,5E)-N-ethyl-5-ethylidene-N-methyl-4-prop-2-enylidene-1H-pyrrole-2-carboxamide
SMILESC=C/C=c1/cc(C(=O)N(C)CC)[nH]/c1=C/C
InChIInChI=1S/C13H18N2O/c1-5-8-10-9-12(14-11(10)6-2)13(16)15(4)7-3/h5-6,8-9,14H,1,7H2,2-4H3/b10-8-,11-6+
InChIKeyJJUDURDCEJMXKK-DEUQGVHJSA-N
XLogP0.87
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-N-ethyl-5-ethylidene-N-methyl-4-prop-2-enylidene-1H-pyrrole-2-carboxamide?
The IUPAC name of (4Z,5E)-N-ethyl-5-ethylidene-N-methyl-4-prop-2-enylidene-1H-pyrrole-2-carboxamide (CID 142389866) is (4Z,5E)-N-ethyl-5-ethylidene-N-methyl-4-prop-2-enylidene-1H-pyrrole-2-carboxamide.
What is the SMILES notation for (4Z,5E)-N-ethyl-5-ethylidene-N-methyl-4-prop-2-enylidene-1H-pyrrole-2-carboxamide?
The canonical SMILES for (4Z,5E)-N-ethyl-5-ethylidene-N-methyl-4-prop-2-enylidene-1H-pyrrole-2-carboxamide is C=C/C=c1/cc(C(=O)N(C)CC)[nH]/c1=C/C.
What is the InChIKey of (4Z,5E)-N-ethyl-5-ethylidene-N-methyl-4-prop-2-enylidene-1H-pyrrole-2-carboxamide?
The InChIKey is JJUDURDCEJMXKK-DEUQGVHJSA-N. The full InChI is InChI=1S/C13H18N2O/c1-5-8-10-9-12(14-11(10)6-2)13(16)15(4)7-3/h5-6,8-9,14H,1,7H2,2-4H3/b10-8-,11-6+.
What are the key properties of (4Z,5E)-N-ethyl-5-ethylidene-N-methyl-4-prop-2-enylidene-1H-pyrrole-2-carboxamide?
(4Z,5E)-N-ethyl-5-ethylidene-N-methyl-4-prop-2-enylidene-1H-pyrrole-2-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-N-ethyl-5-ethylidene-N-methyl-4-prop-2-enylidene-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 142389866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).