(NE)-N-(1-chloro-3-methylpentan-2-ylidene)hydroxylamine

C6H12ClNO — CID 55301898

IUPAC(NE)-N-(1-chloro-3-methylpentan-2-ylidene)hydroxylamine
SMILESCCC(C)/C(CCl)=N\O
InChIInChI=1S/C6H12ClNO/c1-3-5(2)6(4-7)8-9/h5,9H,3-4H2,1-2H3/b8-6-
InChIKeyXTWIFRICOGCYFK-VURMDHGXSA-N
MW149.62 g/mol
LogP2.10
Rot. Bonds3

About (NE)-N-(1-chloro-3-methylpentan-2-ylidene)hydroxylamine

(NE)-N-(1-chloro-3-methylpentan-2-ylidene)hydroxylamine (PubChem CID 55301898) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is (NE)-N-(1-chloro-3-methylpentan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-chloro-3-methylpentan-2-ylidene)hydroxylamine
PubChem CID55301898
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name(NE)-N-(1-chloro-3-methylpentan-2-ylidene)hydroxylamine
SMILESCCC(C)/C(CCl)=N\O
InChIInChI=1S/C6H12ClNO/c1-3-5(2)6(4-7)8-9/h5,9H,3-4H2,1-2H3/b8-6-
InChIKeyXTWIFRICOGCYFK-VURMDHGXSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

(Z)-2-ethyl-N-hydroxybutanimidoyl chloride
CID 11228884
5-Chlor-pentanon-2-oxim
CID 76225655
6-Chlor-hexanon-2-oxim
CID 76226076
2-Chloro-3-methylcyclohexan-1-one oxime
CID 145740153
(NE)-N-[(2R,3S)-2-chloro-3-methylcyclohexylidene]hydroxylamine
CID 13238997
2-Butanone, 1-chloro-, oxime, (E)-
CID 12693701
(1Z)-2-ethyl-N-hydroxybutanimidoyl chloride
CID 58193209
2-Ethyl-N-hydroxybutanimidoyl Chloride
CID 72760486
N-(1-chlorohexan-2-ylidene)hydroxylamine
CID 76225053
N-(1-chloropentan-2-ylidene)hydroxylamine
CID 76225654
N-(1-chlorobutan-2-ylidene)hydroxylamine
CID 85443422
(NZ)-N-(1-chlorohexan-2-ylidene)hydroxylamine
CID 87134725

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-chloro-3-methylpentan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-chloro-3-methylpentan-2-ylidene)hydroxylamine (CID 55301898) is (NE)-N-(1-chloro-3-methylpentan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-chloro-3-methylpentan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-chloro-3-methylpentan-2-ylidene)hydroxylamine is CCC(C)/C(CCl)=N\O.
What is the InChIKey of (NE)-N-(1-chloro-3-methylpentan-2-ylidene)hydroxylamine?
The InChIKey is XTWIFRICOGCYFK-VURMDHGXSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-3-5(2)6(4-7)8-9/h5,9H,3-4H2,1-2H3/b8-6-.
What are the key properties of (NE)-N-(1-chloro-3-methylpentan-2-ylidene)hydroxylamine?
(NE)-N-(1-chloro-3-methylpentan-2-ylidene)hydroxylamine has a molecular weight of 149.62 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-chloro-3-methylpentan-2-ylidene)hydroxylamine is sourced from PubChem (CID 55301898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).