N-(C-tert-butyl-N-prop-1-en-2-ylcarbonimidoyl)ethanimidoyl chloride

C10H17ClN2 — CID 134286967

IUPACN-(C-tert-butyl-N-prop-1-en-2-ylcarbonimidoyl)ethanimidoyl chloride
SMILESC=C(C)/N=C(/N=C(\C)Cl)C(C)(C)C
InChIInChI=1S/C10H17ClN2/c1-7(2)12-9(10(4,5)6)13-8(3)11/h1H2,2-6H3/b12-9+,13-8+
InChIKeySDQDOEQQSSCEGN-GHEQENTPSA-N
MW200.71 g/mol
LogP3.62
Rot. Bonds1

About N-(C-tert-butyl-N-prop-1-en-2-ylcarbonimidoyl)ethanimidoyl chloride

N-(C-tert-butyl-N-prop-1-en-2-ylcarbonimidoyl)ethanimidoyl chloride (PubChem CID 134286967) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is N-(C-tert-butyl-N-prop-1-en-2-ylcarbonimidoyl)ethanimidoyl chloride.

Molecular Properties

Compound NameN-(C-tert-butyl-N-prop-1-en-2-ylcarbonimidoyl)ethanimidoyl chloride
PubChem CID134286967
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC NameN-(C-tert-butyl-N-prop-1-en-2-ylcarbonimidoyl)ethanimidoyl chloride
SMILESC=C(C)/N=C(/N=C(\C)Cl)C(C)(C)C
InChIInChI=1S/C10H17ClN2/c1-7(2)12-9(10(4,5)6)13-8(3)11/h1H2,2-6H3/b12-9+,13-8+
InChIKeySDQDOEQQSSCEGN-GHEQENTPSA-N
XLogP3.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 53.62
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(C-tert-butyl-N-prop-1-en-2-ylcarbonimidoyl)ethanimidoyl chloride?
The IUPAC name of N-(C-tert-butyl-N-prop-1-en-2-ylcarbonimidoyl)ethanimidoyl chloride (CID 134286967) is N-(C-tert-butyl-N-prop-1-en-2-ylcarbonimidoyl)ethanimidoyl chloride.
What is the SMILES notation for N-(C-tert-butyl-N-prop-1-en-2-ylcarbonimidoyl)ethanimidoyl chloride?
The canonical SMILES for N-(C-tert-butyl-N-prop-1-en-2-ylcarbonimidoyl)ethanimidoyl chloride is C=C(C)/N=C(/N=C(\C)Cl)C(C)(C)C.
What is the InChIKey of N-(C-tert-butyl-N-prop-1-en-2-ylcarbonimidoyl)ethanimidoyl chloride?
The InChIKey is SDQDOEQQSSCEGN-GHEQENTPSA-N. The full InChI is InChI=1S/C10H17ClN2/c1-7(2)12-9(10(4,5)6)13-8(3)11/h1H2,2-6H3/b12-9+,13-8+.
What are the key properties of N-(C-tert-butyl-N-prop-1-en-2-ylcarbonimidoyl)ethanimidoyl chloride?
N-(C-tert-butyl-N-prop-1-en-2-ylcarbonimidoyl)ethanimidoyl chloride has a molecular weight of 200.71 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(C-tert-butyl-N-prop-1-en-2-ylcarbonimidoyl)ethanimidoyl chloride is sourced from PubChem (CID 134286967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).