(2Z,4Z)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-imine

C11H18N2 — CID 129041517

IUPAC(2Z,4Z)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-imine
SMILES[H]/N=C(/C=C\C(C)=C/C)N1CCCC1
InChIInChI=1S/C11H18N2/c1-3-10(2)6-7-11(12)13-8-4-5-9-13/h3,6-7,12H,4-5,8-9H2,1-2H3/b7-6-,10-3-,12-11-
InChIKeyBVWWSHIYTJREMC-MOGIMUFPSA-N
MW178.28 g/mol
LogP2.58
Rot. Bonds2

About (2Z,4Z)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-imine

(2Z,4Z)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-imine (PubChem CID 129041517) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (2Z,4Z)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-imine
PubChem CID129041517
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(2Z,4Z)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-imine
SMILES[H]/N=C(/C=C\C(C)=C/C)N1CCCC1
InChIInChI=1S/C11H18N2/c1-3-10(2)6-7-11(12)13-8-4-5-9-13/h3,6-7,12H,4-5,8-9H2,1-2H3/b7-6-,10-3-,12-11-
InChIKeyBVWWSHIYTJREMC-MOGIMUFPSA-N
XLogP2.58
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-imine (CID 129041517) is (2Z,4Z)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-imine is [H]/N=C(/C=C\C(C)=C/C)N1CCCC1.
What is the InChIKey of (2Z,4Z)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-imine?
The InChIKey is BVWWSHIYTJREMC-MOGIMUFPSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-10(2)6-7-11(12)13-8-4-5-9-13/h3,6-7,12H,4-5,8-9H2,1-2H3/b7-6-,10-3-,12-11-.
What are the key properties of (2Z,4Z)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-imine?
(2Z,4Z)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-imine has a molecular weight of 178.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-imine is sourced from PubChem (CID 129041517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).