N-hydroxy-2-methylpentanimidoyl chloride

C6H12ClNO — CID 71333725

IUPACN-hydroxy-2-methylpentanimidoyl chloride
SMILESCCCC(C)C(Cl)=NO
InChIInChI=1S/C6H12ClNO/c1-3-4-5(2)6(7)8-9/h5,9H,3-4H2,1-2H3
InChIKeyKOAFFDPQBVDWJA-UHFFFAOYSA-N
MW149.62 g/mol
LogP2.45
Rot. Bonds3

About N-hydroxy-2-methylpentanimidoyl chloride

N-hydroxy-2-methylpentanimidoyl chloride (PubChem CID 71333725) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is N-hydroxy-2-methylpentanimidoyl chloride.

Molecular Properties

Compound NameN-hydroxy-2-methylpentanimidoyl chloride
PubChem CID71333725
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC NameN-hydroxy-2-methylpentanimidoyl chloride
SMILESCCCC(C)C(Cl)=NO
InChIInChI=1S/C6H12ClNO/c1-3-4-5(2)6(7)8-9/h5,9H,3-4H2,1-2H3
InChIKeyKOAFFDPQBVDWJA-UHFFFAOYSA-N
XLogP2.45
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 52.45
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methylpentanimidoyl chloride?
The IUPAC name of N-hydroxy-2-methylpentanimidoyl chloride (CID 71333725) is N-hydroxy-2-methylpentanimidoyl chloride.
What is the SMILES notation for N-hydroxy-2-methylpentanimidoyl chloride?
The canonical SMILES for N-hydroxy-2-methylpentanimidoyl chloride is CCCC(C)C(Cl)=NO.
What is the InChIKey of N-hydroxy-2-methylpentanimidoyl chloride?
The InChIKey is KOAFFDPQBVDWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-3-4-5(2)6(7)8-9/h5,9H,3-4H2,1-2H3.
What are the key properties of N-hydroxy-2-methylpentanimidoyl chloride?
N-hydroxy-2-methylpentanimidoyl chloride has a molecular weight of 149.62 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methylpentanimidoyl chloride is sourced from PubChem (CID 71333725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).