(E)-3-[acetyl(methyl)amino]-N-propan-2-ylprop-2-enimidoyl chloride

C9H15ClN2O — CID 167189112

IUPAC(E)-3-[acetyl(methyl)amino]-N-propan-2-ylprop-2-enimidoyl chloride
SMILESCC(=O)N(C)/C=C/C(Cl)=N/C(C)C
InChIInChI=1S/C9H15ClN2O/c1-7(2)11-9(10)5-6-12(4)8(3)13/h5-7H,1-4H3/b6-5+,11-9-
InChIKeyFVGFXNPBPDKWNW-BTHQEHEQSA-N
MW202.69 g/mol
LogP2.02
Rot. Bonds3

About (E)-3-[acetyl(methyl)amino]-N-propan-2-ylprop-2-enimidoyl chloride

(E)-3-[acetyl(methyl)amino]-N-propan-2-ylprop-2-enimidoyl chloride (PubChem CID 167189112) has the molecular formula C9H15ClN2O and a molecular weight of 202.69 g/mol. Its IUPAC name is (E)-3-[acetyl(methyl)amino]-N-propan-2-ylprop-2-enimidoyl chloride.

Molecular Properties

Compound Name(E)-3-[acetyl(methyl)amino]-N-propan-2-ylprop-2-enimidoyl chloride
PubChem CID167189112
Molecular FormulaC9H15ClN2O
Molecular Weight202.69 g/mol
Exact Mass202.09
IUPAC Name(E)-3-[acetyl(methyl)amino]-N-propan-2-ylprop-2-enimidoyl chloride
SMILESCC(=O)N(C)/C=C/C(Cl)=N/C(C)C
InChIInChI=1S/C9H15ClN2O/c1-7(2)11-9(10)5-6-12(4)8(3)13/h5-7H,1-4H3/b6-5+,11-9-
InChIKeyFVGFXNPBPDKWNW-BTHQEHEQSA-N
XLogP2.02
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-3-[acetyl(methyl)amino]-N-propan-2-ylprop-2-enimidoyl chloride?
The IUPAC name of (E)-3-[acetyl(methyl)amino]-N-propan-2-ylprop-2-enimidoyl chloride (CID 167189112) is (E)-3-[acetyl(methyl)amino]-N-propan-2-ylprop-2-enimidoyl chloride.
What is the SMILES notation for (E)-3-[acetyl(methyl)amino]-N-propan-2-ylprop-2-enimidoyl chloride?
The canonical SMILES for (E)-3-[acetyl(methyl)amino]-N-propan-2-ylprop-2-enimidoyl chloride is CC(=O)N(C)/C=C/C(Cl)=N/C(C)C.
What is the InChIKey of (E)-3-[acetyl(methyl)amino]-N-propan-2-ylprop-2-enimidoyl chloride?
The InChIKey is FVGFXNPBPDKWNW-BTHQEHEQSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-7(2)11-9(10)5-6-12(4)8(3)13/h5-7H,1-4H3/b6-5+,11-9-.
What are the key properties of (E)-3-[acetyl(methyl)amino]-N-propan-2-ylprop-2-enimidoyl chloride?
(E)-3-[acetyl(methyl)amino]-N-propan-2-ylprop-2-enimidoyl chloride has a molecular weight of 202.69 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[acetyl(methyl)amino]-N-propan-2-ylprop-2-enimidoyl chloride is sourced from PubChem (CID 167189112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).