(3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine

C11H15N — CID 134355136

IUPAC(3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine
SMILESC=C/C=C1/CN(C)C/C1=C/C=C
InChIInChI=1S/C11H15N/c1-4-6-10-8-12(3)9-11(10)7-5-2/h4-7H,1-2,8-9H2,3H3/b10-6-,11-7-
InChIKeyCBRZEAFOMCHPPH-SQXCDDPUSA-N
MW161.25 g/mol
LogP2.16
Rot. Bonds2

About (3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine

(3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine (PubChem CID 134355136) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine.

Molecular Properties

Compound Name(3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine
PubChem CID134355136
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine
SMILESC=C/C=C1/CN(C)C/C1=C/C=C
InChIInChI=1S/C11H15N/c1-4-6-10-8-12(3)9-11(10)7-5-2/h4-7H,1-2,8-9H2,3H3/b10-6-,11-7-
InChIKeyCBRZEAFOMCHPPH-SQXCDDPUSA-N
XLogP2.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine?
The IUPAC name of (3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine (CID 134355136) is (3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine.
What is the SMILES notation for (3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine?
The canonical SMILES for (3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine is C=C/C=C1/CN(C)C/C1=C/C=C.
What is the InChIKey of (3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine?
The InChIKey is CBRZEAFOMCHPPH-SQXCDDPUSA-N. The full InChI is InChI=1S/C11H15N/c1-4-6-10-8-12(3)9-11(10)7-5-2/h4-7H,1-2,8-9H2,3H3/b10-6-,11-7-.
What are the key properties of (3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine?
(3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine has a molecular weight of 161.25 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine is sourced from PubChem (CID 134355136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).