(1E,2Z)-2-ethylidene-N-methylpentanehydrazonoyl chloride

C8H15ClN2 — CID 162729843

IUPAC(1E,2Z)-2-ethylidene-N-methylpentanehydrazonoyl chloride
SMILESC/C=C(CCC)\C(Cl)=N/NC
InChIInChI=1S/C8H15ClN2/c1-4-6-7(5-2)8(9)11-10-3/h5,10H,4,6H2,1-3H3/b7-5-,11-8+
InChIKeyGPDOEKJZRDRIPG-UKJSTWFMSA-N
MW174.67 g/mol
LogP2.50
Rot. Bonds4

About (1E,2Z)-2-ethylidene-N-methylpentanehydrazonoyl chloride

(1E,2Z)-2-ethylidene-N-methylpentanehydrazonoyl chloride (PubChem CID 162729843) has the molecular formula C8H15ClN2 and a molecular weight of 174.67 g/mol. Its IUPAC name is (1E,2Z)-2-ethylidene-N-methylpentanehydrazonoyl chloride.

Molecular Properties

Compound Name(1E,2Z)-2-ethylidene-N-methylpentanehydrazonoyl chloride
PubChem CID162729843
Molecular FormulaC8H15ClN2
Molecular Weight174.67 g/mol
Exact Mass174.09
IUPAC Name(1E,2Z)-2-ethylidene-N-methylpentanehydrazonoyl chloride
SMILESC/C=C(CCC)\C(Cl)=N/NC
InChIInChI=1S/C8H15ClN2/c1-4-6-7(5-2)8(9)11-10-3/h5,10H,4,6H2,1-3H3/b7-5-,11-8+
InChIKeyGPDOEKJZRDRIPG-UKJSTWFMSA-N
XLogP2.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methanimine;N-[(Z)-pentan-2-ylideneamino]methanamine
CID 153389216
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978
azane;methyl 2-ethylidenepentanoate
CID 175242663
magnesium bis(2-ethylidenepentanoate)
CID 156698834
(Z,5Z)-5-ethylidene-4-methylideneoct-2-ene
CID 166467413
silyl 2-ethylidenepentanoate
CID 174944485
hexane;hypochlorous acid
CID 88775298
N,N'-dimethylbutanimidamide;hydrochloride
CID 139836497
(Z)-5-ethylidene-3-methyloct-2-ene
CID 143683733
(Z,4Z)-4-ethylidene-3-propyloct-2-en-1-amine
CID 166865540
ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
CID 143333904
bis(but-1-ene);(4Z,6E,8Z)-8-ethylidene-7-methylundeca-2,4,6-triene
CID 166119091

Frequently Asked Questions

What is the IUPAC name of (1E,2Z)-2-ethylidene-N-methylpentanehydrazonoyl chloride?
The IUPAC name of (1E,2Z)-2-ethylidene-N-methylpentanehydrazonoyl chloride (CID 162729843) is (1E,2Z)-2-ethylidene-N-methylpentanehydrazonoyl chloride.
What is the SMILES notation for (1E,2Z)-2-ethylidene-N-methylpentanehydrazonoyl chloride?
The canonical SMILES for (1E,2Z)-2-ethylidene-N-methylpentanehydrazonoyl chloride is C/C=C(CCC)\C(Cl)=N/NC.
What is the InChIKey of (1E,2Z)-2-ethylidene-N-methylpentanehydrazonoyl chloride?
The InChIKey is GPDOEKJZRDRIPG-UKJSTWFMSA-N. The full InChI is InChI=1S/C8H15ClN2/c1-4-6-7(5-2)8(9)11-10-3/h5,10H,4,6H2,1-3H3/b7-5-,11-8+.
What are the key properties of (1E,2Z)-2-ethylidene-N-methylpentanehydrazonoyl chloride?
(1E,2Z)-2-ethylidene-N-methylpentanehydrazonoyl chloride has a molecular weight of 174.67 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,2Z)-2-ethylidene-N-methylpentanehydrazonoyl chloride is sourced from PubChem (CID 162729843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).