(2E,3Z)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrole

C10H13N — CID 138667504

IUPAC(2E,3Z)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrole
SMILESC=C/C=c1\c(=C/C)ccn1C
InChIInChI=1S/C10H13N/c1-4-6-10-9(5-2)7-8-11(10)3/h4-8H,1H2,2-3H3/b9-5-,10-6+
InChIKeyJNDRXRQKRATFLS-VTBWALSUSA-N
MW147.22 g/mol
LogP0.79
Rot. Bonds1

About (2E,3Z)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrole

(2E,3Z)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrole (PubChem CID 138667504) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (2E,3Z)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrole.

Molecular Properties

Compound Name(2E,3Z)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrole
PubChem CID138667504
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(2E,3Z)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrole
SMILESC=C/C=c1\c(=C/C)ccn1C
InChIInChI=1S/C10H13N/c1-4-6-10-9(5-2)7-8-11(10)3/h4-8H,1H2,2-3H3/b9-5-,10-6+
InChIKeyJNDRXRQKRATFLS-VTBWALSUSA-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,3Z)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrole?
The IUPAC name of (2E,3Z)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrole (CID 138667504) is (2E,3Z)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrole.
What is the SMILES notation for (2E,3Z)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrole?
The canonical SMILES for (2E,3Z)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrole is C=C/C=c1\c(=C/C)ccn1C.
What is the InChIKey of (2E,3Z)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrole?
The InChIKey is JNDRXRQKRATFLS-VTBWALSUSA-N. The full InChI is InChI=1S/C10H13N/c1-4-6-10-9(5-2)7-8-11(10)3/h4-8H,1H2,2-3H3/b9-5-,10-6+.
What are the key properties of (2E,3Z)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrole?
(2E,3Z)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrole 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,3Z)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrole is sourced from PubChem (CID 138667504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).