(1E)-N-methylideneprop-2-enehydrazonoyl chloride

C4H5ClN2 — CID 156745312

IUPAC(1E)-N-methylideneprop-2-enehydrazonoyl chloride
SMILESC=C/C(Cl)=N\N=C
InChIInChI=1S/C4H5ClN2/c1-3-4(5)7-6-2/h3H,1-2H2/b7-4+
InChIKeyYSZQCTJXDFFBCP-QPJJXVBHSA-N
MW116.55 g/mol
LogP1.43
Rot. Bonds2

About (1E)-N-methylideneprop-2-enehydrazonoyl chloride

(1E)-N-methylideneprop-2-enehydrazonoyl chloride (PubChem CID 156745312) has the molecular formula C4H5ClN2 and a molecular weight of 116.55 g/mol. Its IUPAC name is (1E)-N-methylideneprop-2-enehydrazonoyl chloride.

Molecular Properties

Compound Name(1E)-N-methylideneprop-2-enehydrazonoyl chloride
PubChem CID156745312
Molecular FormulaC4H5ClN2
Molecular Weight116.55 g/mol
Exact Mass116.01
IUPAC Name(1E)-N-methylideneprop-2-enehydrazonoyl chloride
SMILESC=C/C(Cl)=N\N=C
InChIInChI=1S/C4H5ClN2/c1-3-4(5)7-6-2/h3H,1-2H2/b7-4+
InChIKeyYSZQCTJXDFFBCP-QPJJXVBHSA-N
XLogP1.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.55
LogP ≤ 51.43
H-Bond Donors ≤ 50
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

(NZ,1E)-N-ethylideneprop-2-enehydrazonoyl chloride
CID 167110233
ethane;(Z)-N-(methylideneamino)but-3-en-2-imine
CID 143330418
(1E)-N,N-dimethylprop-2-enehydrazonoyl chloride
CID 166849863
N-phenylprop-2-enimidoyl chloride
CID 15040268
prop-2-enoyl chloride
CID 23168843
(2E)-3-chloro-2-(methylideneamino)penta-2,4-dienal
CID 176971951
(3E)-4-chlorohexa-1,3,5-trien-2-ol
CID 89259712
hypochlorous acid;prop-2-enoyl fluoride
CID 175192518
carbonochloridic acid;prop-2-enoic acid
CID 159375670
nitrous acid;prop-2-enoic acid
CID 87769222
dichloromethane;prop-2-enoyl chloride
CID 146265417
3,4-dichloropenta-1,3-diene
CID 91053470

Frequently Asked Questions

What is the IUPAC name of (1E)-N-methylideneprop-2-enehydrazonoyl chloride?
The IUPAC name of (1E)-N-methylideneprop-2-enehydrazonoyl chloride (CID 156745312) is (1E)-N-methylideneprop-2-enehydrazonoyl chloride.
What is the SMILES notation for (1E)-N-methylideneprop-2-enehydrazonoyl chloride?
The canonical SMILES for (1E)-N-methylideneprop-2-enehydrazonoyl chloride is C=C/C(Cl)=N\N=C.
What is the InChIKey of (1E)-N-methylideneprop-2-enehydrazonoyl chloride?
The InChIKey is YSZQCTJXDFFBCP-QPJJXVBHSA-N. The full InChI is InChI=1S/C4H5ClN2/c1-3-4(5)7-6-2/h3H,1-2H2/b7-4+.
What are the key properties of (1E)-N-methylideneprop-2-enehydrazonoyl chloride?
(1E)-N-methylideneprop-2-enehydrazonoyl chloride has a molecular weight of 116.55 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-methylideneprop-2-enehydrazonoyl chloride is sourced from PubChem (CID 156745312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).