(NE)-N-[(1-chlorocyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine

C7H8ClNO — CID 19876896

IUPAC(NE)-N-[(1-chlorocyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine
SMILESO/N=C/C1(Cl)C=CC=CC1
InChIInChI=1S/C7H8ClNO/c8-7(6-9-10)4-2-1-3-5-7/h1-4,6,10H,5H2/b9-6+
InChIKeyYWVASOZVCLUAFP-RMKNXTFCSA-N
MW157.60 g/mol
LogP1.94
Rot. Bonds1

About (NE)-N-[(1-chlorocyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine

(NE)-N-[(1-chlorocyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine (PubChem CID 19876896) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is (NE)-N-[(1-chlorocyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1-chlorocyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine
PubChem CID19876896
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name(NE)-N-[(1-chlorocyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine
SMILESO/N=C/C1(Cl)C=CC=CC1
InChIInChI=1S/C7H8ClNO/c8-7(6-9-10)4-2-1-3-5-7/h1-4,6,10H,5H2/b9-6+
InChIKeyYWVASOZVCLUAFP-RMKNXTFCSA-N
XLogP1.94
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.94
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 (NE)-N-[(1-chlorocyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1-chlorocyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine (CID 19876896) is (NE)-N-[(1-chlorocyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1-chlorocyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1-chlorocyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine is O/N=C/C1(Cl)C=CC=CC1.
What is the InChIKey of (NE)-N-[(1-chlorocyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine?
The InChIKey is YWVASOZVCLUAFP-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H8ClNO/c8-7(6-9-10)4-2-1-3-5-7/h1-4,6,10H,5H2/b9-6+.
What are the key properties of (NE)-N-[(1-chlorocyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine?
(NE)-N-[(1-chlorocyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine has a molecular weight of 157.60 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1-chlorocyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 19876896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).