N-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]methanimine

C11H13N — CID 130331404

IUPACN-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]methanimine
SMILESC=N/C(C)=c1/cccc/c1=C/C
InChIInChI=1S/C11H13N/c1-4-10-7-5-6-8-11(10)9(2)12-3/h4-8H,3H2,1-2H3/b10-4-,11-9-
InChIKeyQKPOGCQETVMRHR-QRZHEPDNSA-N
MW159.23 g/mol
LogP1.32
Rot. Bonds1

About N-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]methanimine

N-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]methanimine (PubChem CID 130331404) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is N-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]methanimine
PubChem CID130331404
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC NameN-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]methanimine
SMILESC=N/C(C)=c1/cccc/c1=C/C
InChIInChI=1S/C11H13N/c1-4-10-7-5-6-8-11(10)9(2)12-3/h4-8H,3H2,1-2H3/b10-4-,11-9-
InChIKeyQKPOGCQETVMRHR-QRZHEPDNSA-N
XLogP1.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]methanimine?
The IUPAC name of N-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]methanimine (CID 130331404) is N-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]methanimine.
What is the SMILES notation for N-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]methanimine?
The canonical SMILES for N-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]methanimine is C=N/C(C)=c1/cccc/c1=C/C.
What is the InChIKey of N-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]methanimine?
The InChIKey is QKPOGCQETVMRHR-QRZHEPDNSA-N. The full InChI is InChI=1S/C11H13N/c1-4-10-7-5-6-8-11(10)9(2)12-3/h4-8H,3H2,1-2H3/b10-4-,11-9-.
What are the key properties of N-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]methanimine?
N-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]methanimine has a molecular weight of 159.23 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]methanimine is sourced from PubChem (CID 130331404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).