(6Z)-3-chloro-N,5-dimethyl-6-propylidenecyclohexa-2,4-dien-1-imine

C11H14ClN — CID 171501124

IUPAC(6Z)-3-chloro-N,5-dimethyl-6-propylidenecyclohexa-2,4-dien-1-imine
SMILESCC/C=C1/C(C)=CC(Cl)=C/C1=N\C
InChIInChI=1S/C11H14ClN/c1-4-5-10-8(2)6-9(12)7-11(10)13-3/h5-7H,4H2,1-3H3/b10-5-,13-11+
InChIKeySUIAPAVSSNWMJX-VWNNBSQZSA-N
MW195.69 g/mol
LogP3.48
Rot. Bonds1

About (6Z)-3-chloro-N,5-dimethyl-6-propylidenecyclohexa-2,4-dien-1-imine

(6Z)-3-chloro-N,5-dimethyl-6-propylidenecyclohexa-2,4-dien-1-imine (PubChem CID 171501124) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is (6Z)-3-chloro-N,5-dimethyl-6-propylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-3-chloro-N,5-dimethyl-6-propylidenecyclohexa-2,4-dien-1-imine
PubChem CID171501124
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name(6Z)-3-chloro-N,5-dimethyl-6-propylidenecyclohexa-2,4-dien-1-imine
SMILESCC/C=C1/C(C)=CC(Cl)=C/C1=N\C
InChIInChI=1S/C11H14ClN/c1-4-5-10-8(2)6-9(12)7-11(10)13-3/h5-7H,4H2,1-3H3/b10-5-,13-11+
InChIKeySUIAPAVSSNWMJX-VWNNBSQZSA-N
XLogP3.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.48
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 (6Z)-3-chloro-N,5-dimethyl-6-propylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-3-chloro-N,5-dimethyl-6-propylidenecyclohexa-2,4-dien-1-imine (CID 171501124) is (6Z)-3-chloro-N,5-dimethyl-6-propylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-3-chloro-N,5-dimethyl-6-propylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-3-chloro-N,5-dimethyl-6-propylidenecyclohexa-2,4-dien-1-imine is CC/C=C1/C(C)=CC(Cl)=C/C1=N\C.
What is the InChIKey of (6Z)-3-chloro-N,5-dimethyl-6-propylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is SUIAPAVSSNWMJX-VWNNBSQZSA-N. The full InChI is InChI=1S/C11H14ClN/c1-4-5-10-8(2)6-9(12)7-11(10)13-3/h5-7H,4H2,1-3H3/b10-5-,13-11+.
What are the key properties of (6Z)-3-chloro-N,5-dimethyl-6-propylidenecyclohexa-2,4-dien-1-imine?
(6Z)-3-chloro-N,5-dimethyl-6-propylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 195.69 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3-chloro-N,5-dimethyl-6-propylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 171501124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).