(1E)-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride

C10H12ClNO — CID 88830751

IUPAC(1E)-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride
SMILESCC(C)c1ccc(/C(Cl)=N\O)cc1
InChIInChI=1S/C10H12ClNO/c1-7(2)8-3-5-9(6-4-8)10(11)12-13/h3-7,13H,1-2H3/b12-10+
InChIKeyCLCZUXISDITGQM-ZRDIBKRKSA-N
MW197.67 g/mol
LogP3.18
Rot. Bonds2

About (1E)-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride

(1E)-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride (PubChem CID 88830751) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is (1E)-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1E)-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride
PubChem CID88830751
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name(1E)-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride
SMILESCC(C)c1ccc(/C(Cl)=N\O)cc1
InChIInChI=1S/C10H12ClNO/c1-7(2)8-3-5-9(6-4-8)10(11)12-13/h3-7,13H,1-2H3/b12-10+
InChIKeyCLCZUXISDITGQM-ZRDIBKRKSA-N
XLogP3.18
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[2-methyl-1-(4-propan-2-ylphenyl)propylidene]hydroxylamine
CID 6309286
(NE)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine
CID 135574535
(1E)-N-hydroxy-4-iodobenzenecarboximidoyl chloride
CID 91621384
(4-chlorophenyl)-(4-propan-2-ylphenyl)methanethione
CID 54470257
2-acetyl-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride
CID 88820516
4-(difluoromethoxy)-N-hydroxybenzenecarboximidoyl chloride
CID 86155021
acetic acid;N-hydroxybenzenecarboximidoyl chloride
CID 158315171
(1Z)-4-(2-chloroethyl)-N-hydroxybenzenecarboximidoyl chloride
CID 87632893
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
2-(4-propan-2-ylphenyl)propanoyl chloride
CID 14553074
copper 4-propan-2-ylbenzoic acid
CID 54605006

Frequently Asked Questions

What is the IUPAC name of (1E)-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride?
The IUPAC name of (1E)-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride (CID 88830751) is (1E)-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride.
What is the SMILES notation for (1E)-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride?
The canonical SMILES for (1E)-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride is CC(C)c1ccc(/C(Cl)=N\O)cc1.
What is the InChIKey of (1E)-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride?
The InChIKey is CLCZUXISDITGQM-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-7(2)8-3-5-9(6-4-8)10(11)12-13/h3-7,13H,1-2H3/b12-10+.
What are the key properties of (1E)-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride?
(1E)-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride has a molecular weight of 197.67 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride is sourced from PubChem (CID 88830751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).