(E)-N-[(Z)-but-1-enyl]-3-methylhex-2-enimidoyl chloride

C11H18ClN — CID 177007694

IUPAC(E)-N-[(Z)-but-1-enyl]-3-methylhex-2-enimidoyl chloride
SMILESCC/C=C\N=C(Cl)\C=C(/C)CCC
InChIInChI=1S/C11H18ClN/c1-4-6-8-13-11(12)9-10(3)7-5-2/h6,8-9H,4-5,7H2,1-3H3/b8-6-,10-9+,13-11-
InChIKeyUZXRISQQXZONIJ-NOQYXJBTSA-N
MW199.72 g/mol
LogP4.29
Rot. Bonds5

About (E)-N-[(Z)-but-1-enyl]-3-methylhex-2-enimidoyl chloride

(E)-N-[(Z)-but-1-enyl]-3-methylhex-2-enimidoyl chloride (PubChem CID 177007694) has the molecular formula C11H18ClN and a molecular weight of 199.72 g/mol. Its IUPAC name is (E)-N-[(Z)-but-1-enyl]-3-methylhex-2-enimidoyl chloride.

Molecular Properties

Compound Name(E)-N-[(Z)-but-1-enyl]-3-methylhex-2-enimidoyl chloride
PubChem CID177007694
Molecular FormulaC11H18ClN
Molecular Weight199.72 g/mol
Exact Mass199.11
IUPAC Name(E)-N-[(Z)-but-1-enyl]-3-methylhex-2-enimidoyl chloride
SMILESCC/C=C\N=C(Cl)\C=C(/C)CCC
InChIInChI=1S/C11H18ClN/c1-4-6-8-13-11(12)9-10(3)7-5-2/h6,8-9H,4-5,7H2,1-3H3/b8-6-,10-9+,13-11-
InChIKeyUZXRISQQXZONIJ-NOQYXJBTSA-N
XLogP4.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.72
LogP ≤ 54.29
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

(E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride
CID 145143816
N,5-dimethylhexa-2,5-dienimidoyl chloride
CID 90760612
N,3-dimethylhex-2-enimidoyl chloride
CID 90815478
(2E)-N-ethenyl-3,5-dimethylhexa-2,5-dien-1-imine
CID 117754615
(3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine
CID 123946891
7,8-Dichloro-6-methyl-4,5-dihydroazocine
CID 123997859
(Z)-N-ethenyl-3-methylhept-2-en-1-imine
CID 126580880
(E)-3-methyl-N-[(E)-pent-1-enyl]hex-2-en-1-imine
CID 126707039
(Z)-N-ethenyl-3-ethylhex-2-en-1-imine
CID 129095649
ethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride
CID 142245102
7-chloro-5-methyl-4H-azepine
CID 142266453
N-[(E)-but-1-enyl]-2-propan-2-ylidenepentanimidoyl chloride;ethane
CID 142934741

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-but-1-enyl]-3-methylhex-2-enimidoyl chloride?
The IUPAC name of (E)-N-[(Z)-but-1-enyl]-3-methylhex-2-enimidoyl chloride (CID 177007694) is (E)-N-[(Z)-but-1-enyl]-3-methylhex-2-enimidoyl chloride.
What is the SMILES notation for (E)-N-[(Z)-but-1-enyl]-3-methylhex-2-enimidoyl chloride?
The canonical SMILES for (E)-N-[(Z)-but-1-enyl]-3-methylhex-2-enimidoyl chloride is CC/C=C\N=C(Cl)\C=C(/C)CCC.
What is the InChIKey of (E)-N-[(Z)-but-1-enyl]-3-methylhex-2-enimidoyl chloride?
The InChIKey is UZXRISQQXZONIJ-NOQYXJBTSA-N. The full InChI is InChI=1S/C11H18ClN/c1-4-6-8-13-11(12)9-10(3)7-5-2/h6,8-9H,4-5,7H2,1-3H3/b8-6-,10-9+,13-11-.
What are the key properties of (E)-N-[(Z)-but-1-enyl]-3-methylhex-2-enimidoyl chloride?
(E)-N-[(Z)-but-1-enyl]-3-methylhex-2-enimidoyl chloride has a molecular weight of 199.72 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-but-1-enyl]-3-methylhex-2-enimidoyl chloride is sourced from PubChem (CID 177007694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).