[(Z)-1-chloro-3-(methylamino)prop-2-enylidene]azanium

C4H8ClN2+ — CID 163829221

IUPAC[(Z)-1-chloro-3-(methylamino)prop-2-enylidene]azanium
SMILESCN/C=C\C(=[NH2+])Cl
InChIInChI=1S/C4H7ClN2/c1-7-3-2-4(5)6/h2-3,6-7H,1H3/p+1/b3-2-,6-4?
InChIKeyOCFMVPPJQOVTTA-WFFKOMBOSA-O
MW119.57 g/mol
LogP-0.88
Rot. Bonds2

About [(Z)-1-chloro-3-(methylamino)prop-2-enylidene]azanium

[(Z)-1-chloro-3-(methylamino)prop-2-enylidene]azanium (PubChem CID 163829221) has the molecular formula C4H8ClN2+ and a molecular weight of 119.57 g/mol. Its IUPAC name is [(Z)-1-chloro-3-(methylamino)prop-2-enylidene]azanium.

Molecular Properties

Compound Name[(Z)-1-chloro-3-(methylamino)prop-2-enylidene]azanium
PubChem CID163829221
Molecular FormulaC4H8ClN2+
Molecular Weight119.57 g/mol
Exact Mass119.04
IUPAC Name[(Z)-1-chloro-3-(methylamino)prop-2-enylidene]azanium
SMILESCN/C=C\C(=[NH2+])Cl
InChIInChI=1S/C4H7ClN2/c1-7-3-2-4(5)6/h2-3,6-7H,1H3/p+1/b3-2-,6-4?
InChIKeyOCFMVPPJQOVTTA-WFFKOMBOSA-O
XLogP-0.88
TPSA37.62 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.57
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-chloro-3-(methylamino)prop-2-enylidene]azanium?
The IUPAC name of [(Z)-1-chloro-3-(methylamino)prop-2-enylidene]azanium (CID 163829221) is [(Z)-1-chloro-3-(methylamino)prop-2-enylidene]azanium.
What is the SMILES notation for [(Z)-1-chloro-3-(methylamino)prop-2-enylidene]azanium?
The canonical SMILES for [(Z)-1-chloro-3-(methylamino)prop-2-enylidene]azanium is CN/C=C\C(=[NH2+])Cl.
What is the InChIKey of [(Z)-1-chloro-3-(methylamino)prop-2-enylidene]azanium?
The InChIKey is OCFMVPPJQOVTTA-WFFKOMBOSA-O. The full InChI is InChI=1S/C4H7ClN2/c1-7-3-2-4(5)6/h2-3,6-7H,1H3/p+1/b3-2-,6-4?.
What are the key properties of [(Z)-1-chloro-3-(methylamino)prop-2-enylidene]azanium?
[(Z)-1-chloro-3-(methylamino)prop-2-enylidene]azanium has a molecular weight of 119.57 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-chloro-3-(methylamino)prop-2-enylidene]azanium is sourced from PubChem (CID 163829221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).