1-chloroethenyliminomethyl-methyl-methylideneazanium

C5H8ClN2+ — CID 123661735

IUPAC1-chloroethenyliminomethyl-methyl-methylideneazanium
SMILESC=C(Cl)N=C[N+](=C)C
InChIInChI=1S/C5H8ClN2/c1-5(6)7-4-8(2)3/h4H,1-2H2,3H3/q+1
InChIKeyGKYDTINOGVZMEW-UHFFFAOYSA-N
MW131.59 g/mol
LogP1.07
Rot. Bonds2

About 1-chloroethenyliminomethyl-methyl-methylideneazanium

1-chloroethenyliminomethyl-methyl-methylideneazanium (PubChem CID 123661735) has the molecular formula C5H8ClN2+ and a molecular weight of 131.59 g/mol. Its IUPAC name is 1-chloroethenyliminomethyl-methyl-methylideneazanium.

Molecular Properties

Compound Name1-chloroethenyliminomethyl-methyl-methylideneazanium
PubChem CID123661735
Molecular FormulaC5H8ClN2+
Molecular Weight131.59 g/mol
Exact Mass131.04
IUPAC Name1-chloroethenyliminomethyl-methyl-methylideneazanium
SMILESC=C(Cl)N=C[N+](=C)C
InChIInChI=1S/C5H8ClN2/c1-5(6)7-4-8(2)3/h4H,1-2H2,3H3/q+1
InChIKeyGKYDTINOGVZMEW-UHFFFAOYSA-N
XLogP1.07
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.59
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl-[[[methyl(methylidene)azaniumyl]methylideneamino]methylidene]azanium
CID 153430260
N'-(1-chloroethenyl)-N-methylethane-1,2-diimine
CID 91227377
N'-(1-chloroethenyl)methanimidamide
CID 123794838
N'-(1-chloroethenyl)-N-methylidenemethanimidamide
CID 91023125
N-(3-chlorobuta-1,3-dienyl)ethanimine
CID 123742417
(Z)-N-(1-bromoethenyl)-2-chloroprop-2-en-1-imine
CID 153356245
methyl-methylidene-prop-1-en-2-ylazanium
CID 123573311
N-[(1Z)-3-chloro-2-methylbuta-1,3-dienyl]ethanimine
CID 123892997
(2E)-3-chloro-N,4-dimethylpenta-2,4-dien-1-imine
CID 144929616
acetic acid;2-chlorobuta-1,3-diene
CID 87071838
N-ethylidene-N'-prop-1-en-2-ylmethanimidamide
CID 130351047
(3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene
CID 142010066

Frequently Asked Questions

What is the IUPAC name of 1-chloroethenyliminomethyl-methyl-methylideneazanium?
The IUPAC name of 1-chloroethenyliminomethyl-methyl-methylideneazanium (CID 123661735) is 1-chloroethenyliminomethyl-methyl-methylideneazanium.
What is the SMILES notation for 1-chloroethenyliminomethyl-methyl-methylideneazanium?
The canonical SMILES for 1-chloroethenyliminomethyl-methyl-methylideneazanium is C=C(Cl)N=C[N+](=C)C.
What is the InChIKey of 1-chloroethenyliminomethyl-methyl-methylideneazanium?
The InChIKey is GKYDTINOGVZMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN2/c1-5(6)7-4-8(2)3/h4H,1-2H2,3H3/q+1.
What are the key properties of 1-chloroethenyliminomethyl-methyl-methylideneazanium?
1-chloroethenyliminomethyl-methyl-methylideneazanium has a molecular weight of 131.59 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethenyliminomethyl-methyl-methylideneazanium is sourced from PubChem (CID 123661735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).