(1Z)-N-hydroxyhexanimidoyl chloride

C6H12ClNO — CID 13031985

IUPAC(1Z)-N-hydroxyhexanimidoyl chloride
SMILESCCCCC/C(Cl)=N/O
InChIInChI=1S/C6H12ClNO/c1-2-3-4-5-6(7)8-9/h9H,2-5H2,1H3/b8-6-
InChIKeyFJSGKAMCOZSOBR-VURMDHGXSA-N
MW149.62 g/mol
LogP2.59
Rot. Bonds4

About (1Z)-N-hydroxyhexanimidoyl chloride

(1Z)-N-hydroxyhexanimidoyl chloride (PubChem CID 13031985) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is (1Z)-N-hydroxyhexanimidoyl chloride.

Molecular Properties

Compound Name(1Z)-N-hydroxyhexanimidoyl chloride
PubChem CID13031985
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name(1Z)-N-hydroxyhexanimidoyl chloride
SMILESCCCCC/C(Cl)=N/O
InChIInChI=1S/C6H12ClNO/c1-2-3-4-5-6(7)8-9/h9H,2-5H2,1H3/b8-6-
InChIKeyFJSGKAMCOZSOBR-VURMDHGXSA-N
XLogP2.59
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

hexane;hypochlorous acid
CID 88775298
decane;hypochlorous acid
CID 88775425
19,20-dichlorooctatriacont-19-ene
CID 141390822
N-nonan-4-ylidenehydroxylamine;hydrochloride
CID 86742675
N-tridecan-2-ylidenehydroxylamine
CID 74054313
N-tetradecan-2-ylidenehydroxylamine
CID 140688122
nonanethioyl chloride
CID 54550885
nonadecanoyl chloride
CID 4250939
(NZ)-N-[(2E)-2-hydroxyiminoundecan-3-ylidene]hydroxylamine
CID 137128745
2-hydroxyiminoheptanoic acid
CID 134822061
(NZ)-N-[(2E)-2-hydroxyiminodecan-3-ylidene]hydroxylamine
CID 135992390
decan-5-ylidenehydrazine
CID 86114328

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-hydroxyhexanimidoyl chloride?
The IUPAC name of (1Z)-N-hydroxyhexanimidoyl chloride (CID 13031985) is (1Z)-N-hydroxyhexanimidoyl chloride.
What is the SMILES notation for (1Z)-N-hydroxyhexanimidoyl chloride?
The canonical SMILES for (1Z)-N-hydroxyhexanimidoyl chloride is CCCCC/C(Cl)=N/O.
What is the InChIKey of (1Z)-N-hydroxyhexanimidoyl chloride?
The InChIKey is FJSGKAMCOZSOBR-VURMDHGXSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-2-3-4-5-6(7)8-9/h9H,2-5H2,1H3/b8-6-.
What are the key properties of (1Z)-N-hydroxyhexanimidoyl chloride?
(1Z)-N-hydroxyhexanimidoyl chloride has a molecular weight of 149.62 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-hydroxyhexanimidoyl chloride is sourced from PubChem (CID 13031985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).