N'-(1-chloroethenyl)-N-methylethane-1,2-diimine

C5H7ClN2 — CID 91227377

IUPACN'-(1-chloroethenyl)-N-methylethane-1,2-diimine
SMILESC=C(Cl)N=C/C=N/C
InChIInChI=1S/C5H7ClN2/c1-5(6)8-4-3-7-2/h3-4H,1H2,2H3/b7-3+,8-4?
InChIKeyMMNTVNKKOMJVPC-OJQZMLLLSA-N
MW130.58 g/mol
LogP1.47
Rot. Bonds2

About N'-(1-chloroethenyl)-N-methylethane-1,2-diimine

N'-(1-chloroethenyl)-N-methylethane-1,2-diimine (PubChem CID 91227377) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is N'-(1-chloroethenyl)-N-methylethane-1,2-diimine.

Molecular Properties

Compound NameN'-(1-chloroethenyl)-N-methylethane-1,2-diimine
PubChem CID91227377
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC NameN'-(1-chloroethenyl)-N-methylethane-1,2-diimine
SMILESC=C(Cl)N=C/C=N/C
InChIInChI=1S/C5H7ClN2/c1-5(6)8-4-3-7-2/h3-4H,1H2,2H3/b7-3+,8-4?
InChIKeyMMNTVNKKOMJVPC-OJQZMLLLSA-N
XLogP1.47
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(2E)-3-chloro-N,4-dimethylpenta-2,4-dien-1-imine
CID 144929616
N'-(1-chloroethenyl)methanimidamide
CID 123794838
(2E)-4-chloro-3-ethenyl-N-methylpenta-2,4-dien-1-imine
CID 134534701
1-chloroethenyliminomethyl-methyl-methylideneazanium
CID 123661735
N'-(1-chloroethenyl)-N-methylidenemethanimidamide
CID 91023125
(2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 143116223
(3E)-3-chloro-2-fluoropenta-1,3-diene
CID 143057342
2-chloro-N-methylbut-2-en-1-imine
CID 123152056
(3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine
CID 156715493
N-methylhepta-2,4,6-trien-1-imine
CID 54148857
(Z)-N,3-dimethyl-N'-methylidenepent-2-ene-1,5-diimine
CID 163421984
4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine
CID 123252466

Frequently Asked Questions

What is the IUPAC name of N'-(1-chloroethenyl)-N-methylethane-1,2-diimine?
The IUPAC name of N'-(1-chloroethenyl)-N-methylethane-1,2-diimine (CID 91227377) is N'-(1-chloroethenyl)-N-methylethane-1,2-diimine.
What is the SMILES notation for N'-(1-chloroethenyl)-N-methylethane-1,2-diimine?
The canonical SMILES for N'-(1-chloroethenyl)-N-methylethane-1,2-diimine is C=C(Cl)N=C/C=N/C.
What is the InChIKey of N'-(1-chloroethenyl)-N-methylethane-1,2-diimine?
The InChIKey is MMNTVNKKOMJVPC-OJQZMLLLSA-N. The full InChI is InChI=1S/C5H7ClN2/c1-5(6)8-4-3-7-2/h3-4H,1H2,2H3/b7-3+,8-4?.
What are the key properties of N'-(1-chloroethenyl)-N-methylethane-1,2-diimine?
N'-(1-chloroethenyl)-N-methylethane-1,2-diimine has a molecular weight of 130.58 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-chloroethenyl)-N-methylethane-1,2-diimine is sourced from PubChem (CID 91227377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).