(NZ)-N-(1-chlorohexan-2-ylidene)hydroxylamine

C6H12ClNO — CID 87134725

IUPAC(NZ)-N-(1-chlorohexan-2-ylidene)hydroxylamine
SMILESCCCC/C(CCl)=N/O
InChIInChI=1S/C6H12ClNO/c1-2-3-4-6(5-7)8-9/h9H,2-5H2,1H3/b8-6-
InChIKeySKHDXTZKLIHWBC-VURMDHGXSA-N
MW149.62 g/mol
LogP2.25
Rot. Bonds4

About (NZ)-N-(1-chlorohexan-2-ylidene)hydroxylamine

(NZ)-N-(1-chlorohexan-2-ylidene)hydroxylamine (PubChem CID 87134725) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is (NZ)-N-(1-chlorohexan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(1-chlorohexan-2-ylidene)hydroxylamine
PubChem CID87134725
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name(NZ)-N-(1-chlorohexan-2-ylidene)hydroxylamine
SMILESCCCC/C(CCl)=N/O
InChIInChI=1S/C6H12ClNO/c1-2-3-4-6(5-7)8-9/h9H,2-5H2,1H3/b8-6-
InChIKeySKHDXTZKLIHWBC-VURMDHGXSA-N
XLogP2.25
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 ≤ 52.25
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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1-chlorohexan-2-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(1-chlorohexan-2-ylidene)hydroxylamine (CID 87134725) is (NZ)-N-(1-chlorohexan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(1-chlorohexan-2-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(1-chlorohexan-2-ylidene)hydroxylamine is CCCC/C(CCl)=N/O.
What is the InChIKey of (NZ)-N-(1-chlorohexan-2-ylidene)hydroxylamine?
The InChIKey is SKHDXTZKLIHWBC-VURMDHGXSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-2-3-4-6(5-7)8-9/h9H,2-5H2,1H3/b8-6-.
What are the key properties of (NZ)-N-(1-chlorohexan-2-ylidene)hydroxylamine?
(NZ)-N-(1-chlorohexan-2-ylidene)hydroxylamine has a molecular weight of 149.62 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-chlorohexan-2-ylidene)hydroxylamine is sourced from PubChem (CID 87134725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).