(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrole

C11H13N — CID 131980533

IUPAC(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrole
SMILESC=C/C=c1/ccn(C)/c1=C/C=C
InChIInChI=1S/C11H13N/c1-4-6-10-8-9-12(3)11(10)7-5-2/h4-9H,1-2H2,3H3/b10-6-,11-7+
InChIKeyZOUAXHWMZZTAIQ-NAKBGQTNSA-N
MW159.23 g/mol
LogP0.96
Rot. Bonds2

About (2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrole

(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrole (PubChem CID 131980533) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is (2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrole.

Molecular Properties

Compound Name(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrole
PubChem CID131980533
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrole
SMILESC=C/C=c1/ccn(C)/c1=C/C=C
InChIInChI=1S/C11H13N/c1-4-6-10-8-9-12(3)11(10)7-5-2/h4-9H,1-2H2,3H3/b10-6-,11-7+
InChIKeyZOUAXHWMZZTAIQ-NAKBGQTNSA-N
XLogP0.96
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrole?
The IUPAC name of (2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrole (CID 131980533) is (2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrole.
What is the SMILES notation for (2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrole?
The canonical SMILES for (2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrole is C=C/C=c1/ccn(C)/c1=C/C=C.
What is the InChIKey of (2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrole?
The InChIKey is ZOUAXHWMZZTAIQ-NAKBGQTNSA-N. The full InChI is InChI=1S/C11H13N/c1-4-6-10-8-9-12(3)11(10)7-5-2/h4-9H,1-2H2,3H3/b10-6-,11-7+.
What are the key properties of (2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrole?
(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrole has a molecular weight of 159.23 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrole is sourced from PubChem (CID 131980533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).