(2E)-2-[(Z)-but-2-enylidene]-1-methyl-3-methylidenepyrrole

C10H13N — CID 138600508

IUPAC(2E)-2-[(Z)-but-2-enylidene]-1-methyl-3-methylidenepyrrole
SMILESC=c1ccn(C)/c1=C/C=C\C
InChIInChI=1S/C10H13N/c1-4-5-6-10-9(2)7-8-11(10)3/h4-8H,2H2,1,3H3/b5-4-,10-6+
InChIKeyWUIVQPMWLNRXMR-VWJYOPCBSA-N
MW147.22 g/mol
LogP0.79
Rot. Bonds1

About (2E)-2-[(Z)-but-2-enylidene]-1-methyl-3-methylidenepyrrole

(2E)-2-[(Z)-but-2-enylidene]-1-methyl-3-methylidenepyrrole (PubChem CID 138600508) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-enylidene]-1-methyl-3-methylidenepyrrole.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-enylidene]-1-methyl-3-methylidenepyrrole
PubChem CID138600508
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(2E)-2-[(Z)-but-2-enylidene]-1-methyl-3-methylidenepyrrole
SMILESC=c1ccn(C)/c1=C/C=C\C
InChIInChI=1S/C10H13N/c1-4-5-6-10-9(2)7-8-11(10)3/h4-8H,2H2,1,3H3/b5-4-,10-6+
InChIKeyWUIVQPMWLNRXMR-VWJYOPCBSA-N
XLogP0.79
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-1-methyl-3-methylidenepyrrole?
The IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-1-methyl-3-methylidenepyrrole (CID 138600508) is (2E)-2-[(Z)-but-2-enylidene]-1-methyl-3-methylidenepyrrole.
What is the SMILES notation for (2E)-2-[(Z)-but-2-enylidene]-1-methyl-3-methylidenepyrrole?
The canonical SMILES for (2E)-2-[(Z)-but-2-enylidene]-1-methyl-3-methylidenepyrrole is C=c1ccn(C)/c1=C/C=C\C.
What is the InChIKey of (2E)-2-[(Z)-but-2-enylidene]-1-methyl-3-methylidenepyrrole?
The InChIKey is WUIVQPMWLNRXMR-VWJYOPCBSA-N. The full InChI is InChI=1S/C10H13N/c1-4-5-6-10-9(2)7-8-11(10)3/h4-8H,2H2,1,3H3/b5-4-,10-6+.
What are the key properties of (2E)-2-[(Z)-but-2-enylidene]-1-methyl-3-methylidenepyrrole?
(2E)-2-[(Z)-but-2-enylidene]-1-methyl-3-methylidenepyrrole has a molecular weight of 147.22 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-2-enylidene]-1-methyl-3-methylidenepyrrole is sourced from PubChem (CID 138600508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).