(E,1E)-N-[(E)-1-chloroprop-1-enyl]-3-methylpent-2-enimidoyl chloride

C9H13Cl2N — CID 143382576

IUPAC(E,1E)-N-[(E)-1-chloroprop-1-enyl]-3-methylpent-2-enimidoyl chloride
SMILESC/C=C(Cl)\N=C(Cl)/C=C(\C)CC
InChIInChI=1S/C9H13Cl2N/c1-4-7(3)6-9(11)12-8(10)5-2/h5-6H,4H2,1-3H3/b7-6+,8-5-,12-9+
InChIKeyWOEPDKKHHCTHQD-NXVLDRLOSA-N
MW206.12 g/mol
LogP4.08
Rot. Bonds3

About (E,1E)-N-[(E)-1-chloroprop-1-enyl]-3-methylpent-2-enimidoyl chloride

(E,1E)-N-[(E)-1-chloroprop-1-enyl]-3-methylpent-2-enimidoyl chloride (PubChem CID 143382576) has the molecular formula C9H13Cl2N and a molecular weight of 206.12 g/mol. Its IUPAC name is (E,1E)-N-[(E)-1-chloroprop-1-enyl]-3-methylpent-2-enimidoyl chloride.

Molecular Properties

Compound Name(E,1E)-N-[(E)-1-chloroprop-1-enyl]-3-methylpent-2-enimidoyl chloride
PubChem CID143382576
Molecular FormulaC9H13Cl2N
Molecular Weight206.12 g/mol
Exact Mass205.04
IUPAC Name(E,1E)-N-[(E)-1-chloroprop-1-enyl]-3-methylpent-2-enimidoyl chloride
SMILESC/C=C(Cl)\N=C(Cl)/C=C(\C)CC
InChIInChI=1S/C9H13Cl2N/c1-4-7(3)6-9(11)12-8(10)5-2/h5-6H,4H2,1-3H3/b7-6+,8-5-,12-9+
InChIKeyWOEPDKKHHCTHQD-NXVLDRLOSA-N
XLogP4.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(E,1E)-N-[(Z)-1-chlorobut-1-enyl]-4,4,4-trifluoro-3-methylbut-2-enimidoyl chloride
CID 172240313
N,5-dimethylhexa-2,5-dienimidoyl chloride
CID 90760612
N,3-dimethylhex-2-enimidoyl chloride
CID 90815478
2,8-Dichloro-7-methyl-4,5-dihydroazocine
CID 123459833
N-(1,3-dichloro-4-methylhexa-1,3-dienyl)propan-2-imine
CID 123746419
2,5,7-trichloro-3-ethyl-4H-azepine
CID 123888465
2-Chloro-7,8-dimethyl-4,5-dihydroazocine
CID 123890337
(Z)-N,3-dimethylpent-2-enimidoyl chloride
CID 132023743
2,7-dichloro-3-ethyl-4H-azepine
CID 149597937
2-chloro-5-ethyl-7-methyl-4H-azepine
CID 156280333
N-(1-chloroethenyl)-3,4-dimethylpent-3-en-2-imine
CID 173908297
(Z)-N-(1-chloroethenyl)-4-methylpent-3-en-2-imine
CID 144591212

Frequently Asked Questions

What is the IUPAC name of (E,1E)-N-[(E)-1-chloroprop-1-enyl]-3-methylpent-2-enimidoyl chloride?
The IUPAC name of (E,1E)-N-[(E)-1-chloroprop-1-enyl]-3-methylpent-2-enimidoyl chloride (CID 143382576) is (E,1E)-N-[(E)-1-chloroprop-1-enyl]-3-methylpent-2-enimidoyl chloride.
What is the SMILES notation for (E,1E)-N-[(E)-1-chloroprop-1-enyl]-3-methylpent-2-enimidoyl chloride?
The canonical SMILES for (E,1E)-N-[(E)-1-chloroprop-1-enyl]-3-methylpent-2-enimidoyl chloride is C/C=C(Cl)\N=C(Cl)/C=C(\C)CC.
What is the InChIKey of (E,1E)-N-[(E)-1-chloroprop-1-enyl]-3-methylpent-2-enimidoyl chloride?
The InChIKey is WOEPDKKHHCTHQD-NXVLDRLOSA-N. The full InChI is InChI=1S/C9H13Cl2N/c1-4-7(3)6-9(11)12-8(10)5-2/h5-6H,4H2,1-3H3/b7-6+,8-5-,12-9+.
What are the key properties of (E,1E)-N-[(E)-1-chloroprop-1-enyl]-3-methylpent-2-enimidoyl chloride?
(E,1E)-N-[(E)-1-chloroprop-1-enyl]-3-methylpent-2-enimidoyl chloride has a molecular weight of 206.12 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1E)-N-[(E)-1-chloroprop-1-enyl]-3-methylpent-2-enimidoyl chloride is sourced from PubChem (CID 143382576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).