(6Z)-6-ethylidene-N-methyl-4-pyrrolidin-2-ylcyclohexa-2,4-dien-1-imine

C13H18N2 — CID 145012016

IUPAC(6Z)-6-ethylidene-N-methyl-4-pyrrolidin-2-ylcyclohexa-2,4-dien-1-imine
SMILESC/C=C1/C=C(C2CCCN2)C=C/C1=N\C
InChIInChI=1S/C13H18N2/c1-3-10-9-11(6-7-12(10)14-2)13-5-4-8-15-13/h3,6-7,9,13,15H,4-5,8H2,1-2H3/b10-3-,14-12+
InChIKeyFYBUVBSMFAQUMU-KXTULRPLSA-N
MW202.30 g/mol
LogP2.25
Rot. Bonds1

About (6Z)-6-ethylidene-N-methyl-4-pyrrolidin-2-ylcyclohexa-2,4-dien-1-imine

(6Z)-6-ethylidene-N-methyl-4-pyrrolidin-2-ylcyclohexa-2,4-dien-1-imine (PubChem CID 145012016) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (6Z)-6-ethylidene-N-methyl-4-pyrrolidin-2-ylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-6-ethylidene-N-methyl-4-pyrrolidin-2-ylcyclohexa-2,4-dien-1-imine
PubChem CID145012016
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(6Z)-6-ethylidene-N-methyl-4-pyrrolidin-2-ylcyclohexa-2,4-dien-1-imine
SMILESC/C=C1/C=C(C2CCCN2)C=C/C1=N\C
InChIInChI=1S/C13H18N2/c1-3-10-9-11(6-7-12(10)14-2)13-5-4-8-15-13/h3,6-7,9,13,15H,4-5,8H2,1-2H3/b10-3-,14-12+
InChIKeyFYBUVBSMFAQUMU-KXTULRPLSA-N
XLogP2.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-ethylidene-N-methyl-4-pyrrolidin-2-ylcyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-6-ethylidene-N-methyl-4-pyrrolidin-2-ylcyclohexa-2,4-dien-1-imine (CID 145012016) is (6Z)-6-ethylidene-N-methyl-4-pyrrolidin-2-ylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-6-ethylidene-N-methyl-4-pyrrolidin-2-ylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-6-ethylidene-N-methyl-4-pyrrolidin-2-ylcyclohexa-2,4-dien-1-imine is C/C=C1/C=C(C2CCCN2)C=C/C1=N\C.
What is the InChIKey of (6Z)-6-ethylidene-N-methyl-4-pyrrolidin-2-ylcyclohexa-2,4-dien-1-imine?
The InChIKey is FYBUVBSMFAQUMU-KXTULRPLSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-10-9-11(6-7-12(10)14-2)13-5-4-8-15-13/h3,6-7,9,13,15H,4-5,8H2,1-2H3/b10-3-,14-12+.
What are the key properties of (6Z)-6-ethylidene-N-methyl-4-pyrrolidin-2-ylcyclohexa-2,4-dien-1-imine?
(6Z)-6-ethylidene-N-methyl-4-pyrrolidin-2-ylcyclohexa-2,4-dien-1-imine has a molecular weight of 202.30 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-ethylidene-N-methyl-4-pyrrolidin-2-ylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 145012016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).