(E)-3-chloro-N-ethenylhept-2-enimidoyl chloride

C9H13Cl2N — CID 143499632

IUPAC(E)-3-chloro-N-ethenylhept-2-enimidoyl chloride
SMILESC=C/N=C(Cl)/C=C(/Cl)CCCC
InChIInChI=1S/C9H13Cl2N/c1-3-5-6-8(10)7-9(11)12-4-2/h4,7H,2-3,5-6H2,1H3/b8-7+,12-9-
InChIKeyDWAXDTSGTPDOOZ-GHYOLMRSSA-N
MW206.12 g/mol
LogP4.08
Rot. Bonds5

About (E)-3-chloro-N-ethenylhept-2-enimidoyl chloride

(E)-3-chloro-N-ethenylhept-2-enimidoyl chloride (PubChem CID 143499632) has the molecular formula C9H13Cl2N and a molecular weight of 206.12 g/mol. Its IUPAC name is (E)-3-chloro-N-ethenylhept-2-enimidoyl chloride.

Molecular Properties

Compound Name(E)-3-chloro-N-ethenylhept-2-enimidoyl chloride
PubChem CID143499632
Molecular FormulaC9H13Cl2N
Molecular Weight206.12 g/mol
Exact Mass205.04
IUPAC Name(E)-3-chloro-N-ethenylhept-2-enimidoyl chloride
SMILESC=C/N=C(Cl)/C=C(/Cl)CCCC
InChIInChI=1S/C9H13Cl2N/c1-3-5-6-8(10)7-9(11)12-4-2/h4,7H,2-3,5-6H2,1H3/b8-7+,12-9-
InChIKeyDWAXDTSGTPDOOZ-GHYOLMRSSA-N
XLogP4.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 54.08
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

7,8-Dichloro-6-methyl-4,5-dihydroazocine
CID 123997859
N-[(E)-but-1-enyl]-2-propan-2-ylidenepentanimidoyl chloride;ethane
CID 142934741
N-[(1Z,3Z)-3-chlorohepta-1,3-dienyl]ethanimidoyl chloride
CID 166763901
(E)-N-[(Z)-prop-1-enyl]pent-2-enimidoyl chloride
CID 169205074
7-chloro-5-ethyl-6-methyl-4H-azepine
CID 170274140
(2E)-9-chloro-8-methyl-5,6-dihydro-4H-azonine
CID 173896799
N-[(E)-but-1-enyl]-2-propan-2-ylidenepentanimidoyl chloride
CID 142934742
(Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride
CID 143344512
(E)-N-[(Z)-but-1-enyl]-3-methylhex-2-enimidoyl chloride
CID 177007694

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N-ethenylhept-2-enimidoyl chloride?
The IUPAC name of (E)-3-chloro-N-ethenylhept-2-enimidoyl chloride (CID 143499632) is (E)-3-chloro-N-ethenylhept-2-enimidoyl chloride.
What is the SMILES notation for (E)-3-chloro-N-ethenylhept-2-enimidoyl chloride?
The canonical SMILES for (E)-3-chloro-N-ethenylhept-2-enimidoyl chloride is C=C/N=C(Cl)/C=C(/Cl)CCCC.
What is the InChIKey of (E)-3-chloro-N-ethenylhept-2-enimidoyl chloride?
The InChIKey is DWAXDTSGTPDOOZ-GHYOLMRSSA-N. The full InChI is InChI=1S/C9H13Cl2N/c1-3-5-6-8(10)7-9(11)12-4-2/h4,7H,2-3,5-6H2,1H3/b8-7+,12-9-.
What are the key properties of (E)-3-chloro-N-ethenylhept-2-enimidoyl chloride?
(E)-3-chloro-N-ethenylhept-2-enimidoyl chloride has a molecular weight of 206.12 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-N-ethenylhept-2-enimidoyl chloride is sourced from PubChem (CID 143499632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).