(1Z,2S)-N-hydroxy-2,3-dimethylbutanimidoyl chloride

C6H12ClNO — CID 122577405

IUPAC(1Z,2S)-N-hydroxy-2,3-dimethylbutanimidoyl chloride
SMILESCC(C)[C@H](C)/C(Cl)=N/O
InChIInChI=1S/C6H12ClNO/c1-4(2)5(3)6(7)8-9/h4-5,9H,1-3H3/b8-6-/t5-/m0/s1
InChIKeyUYNFBZUALXWKHO-JCVXODEMSA-N
MW149.62 g/mol
LogP2.31
Rot. Bonds2

About (1Z,2S)-N-hydroxy-2,3-dimethylbutanimidoyl chloride

(1Z,2S)-N-hydroxy-2,3-dimethylbutanimidoyl chloride (PubChem CID 122577405) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is (1Z,2S)-N-hydroxy-2,3-dimethylbutanimidoyl chloride.

Molecular Properties

Compound Name(1Z,2S)-N-hydroxy-2,3-dimethylbutanimidoyl chloride
PubChem CID122577405
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name(1Z,2S)-N-hydroxy-2,3-dimethylbutanimidoyl chloride
SMILESCC(C)[C@H](C)/C(Cl)=N/O
InChIInChI=1S/C6H12ClNO/c1-4(2)5(3)6(7)8-9/h4-5,9H,1-3H3/b8-6-/t5-/m0/s1
InChIKeyUYNFBZUALXWKHO-JCVXODEMSA-N
XLogP2.31
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 52.31
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

N-hydroxy-2-phenylpropanimidoyl chloride
CID 75091043
2-ethyl-N-hydroxybutanimidoyl chloride
CID 72760486
(1E,2E)-N,N'-dihydroxyethanediimidoyl dichloride
CID 135507761
2-ethyl-N-hydroxybut-3-ynimidoyl chloride
CID 175535486
(NE)-N-(3-chlorobutan-2-ylidene)hydroxylamine
CID 12545781
N-(4,4-dichloro-1,1-difluoro-3-methylbutan-2-ylidene)hydroxylamine
CID 173452074
hypochlorous acid;bis(propan-2-ol);titanium
CID 88685410
N-(2,3-dimethyl-1-silylbutylidene)hydroxylamine;bis(N-(3-methylbutylidene)hydroxylamine)
CID 173363493
(1Z)-2,3,3-trichloro-N-hydroxyprop-2-enimidoyl chloride
CID 134856758
(3S)-3,4-dimethylpentane-2-thione
CID 153298287
2,3-dimethylbutane;methanol
CID 142260145
(1E)-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride
CID 88830751

Frequently Asked Questions

What is the IUPAC name of (1Z,2S)-N-hydroxy-2,3-dimethylbutanimidoyl chloride?
The IUPAC name of (1Z,2S)-N-hydroxy-2,3-dimethylbutanimidoyl chloride (CID 122577405) is (1Z,2S)-N-hydroxy-2,3-dimethylbutanimidoyl chloride.
What is the SMILES notation for (1Z,2S)-N-hydroxy-2,3-dimethylbutanimidoyl chloride?
The canonical SMILES for (1Z,2S)-N-hydroxy-2,3-dimethylbutanimidoyl chloride is CC(C)[C@H](C)/C(Cl)=N/O.
What is the InChIKey of (1Z,2S)-N-hydroxy-2,3-dimethylbutanimidoyl chloride?
The InChIKey is UYNFBZUALXWKHO-JCVXODEMSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-4(2)5(3)6(7)8-9/h4-5,9H,1-3H3/b8-6-/t5-/m0/s1.
What are the key properties of (1Z,2S)-N-hydroxy-2,3-dimethylbutanimidoyl chloride?
(1Z,2S)-N-hydroxy-2,3-dimethylbutanimidoyl chloride has a molecular weight of 149.62 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,2S)-N-hydroxy-2,3-dimethylbutanimidoyl chloride is sourced from PubChem (CID 122577405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).