N-prop-2-enylethanimidoyl chloride

C5H8ClN — CID 134920005

IUPACN-prop-2-enylethanimidoyl chloride
SMILESC=CC/N=C(\C)Cl
InChIInChI=1S/C5H8ClN/c1-3-4-7-5(2)6/h3H,1,4H2,2H3/b7-5+
InChIKeyMFCBPRJNGIDRNF-FNORWQNLSA-N
MW117.58 g/mol
LogP1.83
Rot. Bonds2

About N-prop-2-enylethanimidoyl chloride

N-prop-2-enylethanimidoyl chloride (PubChem CID 134920005) has the molecular formula C5H8ClN and a molecular weight of 117.58 g/mol. Its IUPAC name is N-prop-2-enylethanimidoyl chloride.

Molecular Properties

Compound NameN-prop-2-enylethanimidoyl chloride
PubChem CID134920005
Molecular FormulaC5H8ClN
Molecular Weight117.58 g/mol
Exact Mass117.03
IUPAC NameN-prop-2-enylethanimidoyl chloride
SMILESC=CC/N=C(\C)Cl
InChIInChI=1S/C5H8ClN/c1-3-4-7-5(2)6/h3H,1,4H2,2H3/b7-5+
InChIKeyMFCBPRJNGIDRNF-FNORWQNLSA-N
XLogP1.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.58
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-N-2-propen-1-ylpropanimidoyl chloride
CID 134920006
N-prop-2-enylpropanimidoyl chloride
CID 134988374
N-methylbut-2-enimidoyl chloride
CID 91049177
(Z)-N-methylbut-2-enimidoyl chloride
CID 91410424
N-[(Z)-prop-1-enyl]ethanimidoyl chloride
CID 117665170
N-(2-methylbut-2-enyl)ethanimidoyl chloride
CID 123186736
N-ethylbut-2-enimidoyl chloride
CID 123897509
N-but-3-en-2-ylethanimidoyl chloride
CID 131999393
N-ethylprop-2-enimidoyl chloride
CID 137466866
ethane;N-[(Z)-prop-1-enyl]ethanimidoyl chloride
CID 144648794
(E)-N-methylbut-2-enimidoyl chloride
CID 166786136
2-chloro-N-prop-2-enylpropan-1-imine
CID 129993509

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylethanimidoyl chloride?
The IUPAC name of N-prop-2-enylethanimidoyl chloride (CID 134920005) is N-prop-2-enylethanimidoyl chloride.
What is the SMILES notation for N-prop-2-enylethanimidoyl chloride?
The canonical SMILES for N-prop-2-enylethanimidoyl chloride is C=CC/N=C(\C)Cl.
What is the InChIKey of N-prop-2-enylethanimidoyl chloride?
The InChIKey is MFCBPRJNGIDRNF-FNORWQNLSA-N. The full InChI is InChI=1S/C5H8ClN/c1-3-4-7-5(2)6/h3H,1,4H2,2H3/b7-5+.
What are the key properties of N-prop-2-enylethanimidoyl chloride?
N-prop-2-enylethanimidoyl chloride has a molecular weight of 117.58 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylethanimidoyl chloride is sourced from PubChem (CID 134920005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).