(4Z,5E)-5-[(Z)-but-2-enylidene]-4-butylidene-N-methyl-1H-pyrrole-2-carboxamide

C14H20N2O — CID 142801770

IUPAC(4Z,5E)-5-[(Z)-but-2-enylidene]-4-butylidene-N-methyl-1H-pyrrole-2-carboxamide
SMILESC/C=C\C=c1\[nH]c(C(=O)NC)c\c1=C\CCC
InChIInChI=1S/C14H20N2O/c1-4-6-8-11-10-13(14(17)15-3)16-12(11)9-7-5-2/h5,7-10,16H,4,6H2,1-3H3,(H,15,17)/b7-5-,11-8-,12-9+
InChIKeyASYVHLLMQUFSCR-FVJFBQFASA-N
MW232.33 g/mol
LogP1.31
Rot. Bonds4

About (4Z,5E)-5-[(Z)-but-2-enylidene]-4-butylidene-N-methyl-1H-pyrrole-2-carboxamide

(4Z,5E)-5-[(Z)-but-2-enylidene]-4-butylidene-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 142801770) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (4Z,5E)-5-[(Z)-but-2-enylidene]-4-butylidene-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name(4Z,5E)-5-[(Z)-but-2-enylidene]-4-butylidene-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID142801770
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(4Z,5E)-5-[(Z)-but-2-enylidene]-4-butylidene-N-methyl-1H-pyrrole-2-carboxamide
SMILESC/C=C\C=c1\[nH]c(C(=O)NC)c\c1=C\CCC
InChIInChI=1S/C14H20N2O/c1-4-6-8-11-10-13(14(17)15-3)16-12(11)9-7-5-2/h5,7-10,16H,4,6H2,1-3H3,(H,15,17)/b7-5-,11-8-,12-9+
InChIKeyASYVHLLMQUFSCR-FVJFBQFASA-N
XLogP1.31
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-5-[(Z)-but-2-enylidene]-4-butylidene-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of (4Z,5E)-5-[(Z)-but-2-enylidene]-4-butylidene-N-methyl-1H-pyrrole-2-carboxamide (CID 142801770) is (4Z,5E)-5-[(Z)-but-2-enylidene]-4-butylidene-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for (4Z,5E)-5-[(Z)-but-2-enylidene]-4-butylidene-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for (4Z,5E)-5-[(Z)-but-2-enylidene]-4-butylidene-N-methyl-1H-pyrrole-2-carboxamide is C/C=C\C=c1\[nH]c(C(=O)NC)c\c1=C\CCC.
What is the InChIKey of (4Z,5E)-5-[(Z)-but-2-enylidene]-4-butylidene-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is ASYVHLLMQUFSCR-FVJFBQFASA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-6-8-11-10-13(14(17)15-3)16-12(11)9-7-5-2/h5,7-10,16H,4,6H2,1-3H3,(H,15,17)/b7-5-,11-8-,12-9+.
What are the key properties of (4Z,5E)-5-[(Z)-but-2-enylidene]-4-butylidene-N-methyl-1H-pyrrole-2-carboxamide?
(4Z,5E)-5-[(Z)-but-2-enylidene]-4-butylidene-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-5-[(Z)-but-2-enylidene]-4-butylidene-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 142801770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).