(Z)-N-[(E)-chloro-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine

C10H10ClN — CID 177030640

IUPAC(Z)-N-[(E)-chloro-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine
SMILESC=c1cccc/c1=C(Cl)/N=C\C
InChIInChI=1S/C10H10ClN/c1-3-12-10(11)9-7-5-4-6-8(9)2/h3-7H,2H2,1H3/b10-9-,12-3-
InChIKeyGVJLAQVQFWUPJM-ZSWLAKRQSA-N
MW179.65 g/mol
LogP1.49
Rot. Bonds1

About (Z)-N-[(E)-chloro-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine

(Z)-N-[(E)-chloro-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine (PubChem CID 177030640) has the molecular formula C10H10ClN and a molecular weight of 179.65 g/mol. Its IUPAC name is (Z)-N-[(E)-chloro-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(E)-chloro-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine
PubChem CID177030640
Molecular FormulaC10H10ClN
Molecular Weight179.65 g/mol
Exact Mass179.05
IUPAC Name(Z)-N-[(E)-chloro-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine
SMILESC=c1cccc/c1=C(Cl)/N=C\C
InChIInChI=1S/C10H10ClN/c1-3-12-10(11)9-7-5-4-6-8(9)2/h3-7H,2H2,1H3/b10-9-,12-3-
InChIKeyGVJLAQVQFWUPJM-ZSWLAKRQSA-N
XLogP1.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-chloro-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine?
The IUPAC name of (Z)-N-[(E)-chloro-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine (CID 177030640) is (Z)-N-[(E)-chloro-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine.
What is the SMILES notation for (Z)-N-[(E)-chloro-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine?
The canonical SMILES for (Z)-N-[(E)-chloro-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine is C=c1cccc/c1=C(Cl)/N=C\C.
What is the InChIKey of (Z)-N-[(E)-chloro-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine?
The InChIKey is GVJLAQVQFWUPJM-ZSWLAKRQSA-N. The full InChI is InChI=1S/C10H10ClN/c1-3-12-10(11)9-7-5-4-6-8(9)2/h3-7H,2H2,1H3/b10-9-,12-3-.
What are the key properties of (Z)-N-[(E)-chloro-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine?
(Z)-N-[(E)-chloro-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine has a molecular weight of 179.65 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-chloro-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine is sourced from PubChem (CID 177030640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).