(2E,5Z)-2-chloro-N-methylhepta-2,5-dien-4-imine

C8H12ClN — CID 123642296

IUPAC(2E,5Z)-2-chloro-N-methylhepta-2,5-dien-4-imine
SMILESC/C=C\C(\C=C(/C)Cl)=N/C
InChIInChI=1S/C8H12ClN/c1-4-5-8(10-3)6-7(2)9/h4-6H,1-3H3/b5-4-,7-6+,10-8+
InChIKeyZFWRKBQEIWDLDM-WEYQCMQXSA-N
MW157.64 g/mol
LogP2.78
Rot. Bonds2

About (2E,5Z)-2-chloro-N-methylhepta-2,5-dien-4-imine

(2E,5Z)-2-chloro-N-methylhepta-2,5-dien-4-imine (PubChem CID 123642296) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is (2E,5Z)-2-chloro-N-methylhepta-2,5-dien-4-imine.

Molecular Properties

Compound Name(2E,5Z)-2-chloro-N-methylhepta-2,5-dien-4-imine
PubChem CID123642296
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name(2E,5Z)-2-chloro-N-methylhepta-2,5-dien-4-imine
SMILESC/C=C\C(\C=C(/C)Cl)=N/C
InChIInChI=1S/C8H12ClN/c1-4-5-8(10-3)6-7(2)9/h4-6H,1-3H3/b5-4-,7-6+,10-8+
InChIKeyZFWRKBQEIWDLDM-WEYQCMQXSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methylpent-3-en-2-imine
CID 15325554
N-methylcyclohexa-2,5-dien-1-imine
CID 20614487
N-propylcyclohexa-2,5-dien-1-imine
CID 21188343
(E)-4-chloro-N-methylpent-3-en-2-imine
CID 58359864
(Z)-N-methylpent-3-en-2-imine
CID 59451924
(E)-N-methylpent-3-en-2-imine
CID 59927792
4-chloro-N-methylpent-3-en-2-imine
CID 76733626
N-prop-2-enylhex-3-en-2-imine
CID 86159650
(Z)-N-ethylpent-3-en-2-imine
CID 87420267
(E)-N-butan-2-ylpent-2-enimidoyl chloride
CID 88602492
(Z)-N-methylhex-3-en-2-imine
CID 88993764
(3Z,5Z)-N-methylhepta-3,5-dien-2-imine
CID 89597212

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-2-chloro-N-methylhepta-2,5-dien-4-imine?
The IUPAC name of (2E,5Z)-2-chloro-N-methylhepta-2,5-dien-4-imine (CID 123642296) is (2E,5Z)-2-chloro-N-methylhepta-2,5-dien-4-imine.
What is the SMILES notation for (2E,5Z)-2-chloro-N-methylhepta-2,5-dien-4-imine?
The canonical SMILES for (2E,5Z)-2-chloro-N-methylhepta-2,5-dien-4-imine is C/C=C\C(\C=C(/C)Cl)=N/C.
What is the InChIKey of (2E,5Z)-2-chloro-N-methylhepta-2,5-dien-4-imine?
The InChIKey is ZFWRKBQEIWDLDM-WEYQCMQXSA-N. The full InChI is InChI=1S/C8H12ClN/c1-4-5-8(10-3)6-7(2)9/h4-6H,1-3H3/b5-4-,7-6+,10-8+.
What are the key properties of (2E,5Z)-2-chloro-N-methylhepta-2,5-dien-4-imine?
(2E,5Z)-2-chloro-N-methylhepta-2,5-dien-4-imine has a molecular weight of 157.64 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-2-chloro-N-methylhepta-2,5-dien-4-imine is sourced from PubChem (CID 123642296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).