N-[(1,5-dichloro-6-methylcyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine

C8H9Cl2NO — CID 175471819

IUPACN-[(1,5-dichloro-6-methylcyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine
SMILESCC1C(Cl)=CC=CC1(Cl)C=NO
InChIInChI=1S/C8H9Cl2NO/c1-6-7(9)3-2-4-8(6,10)5-11-12/h2-6,12H,1H3
InChIKeyHFNFIWDRJJCVDM-UHFFFAOYSA-N
MW206.07 g/mol
LogP2.75
Rot. Bonds1

About N-[(1,5-dichloro-6-methylcyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine

N-[(1,5-dichloro-6-methylcyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine (PubChem CID 175471819) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is N-[(1,5-dichloro-6-methylcyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(1,5-dichloro-6-methylcyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine
PubChem CID175471819
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC NameN-[(1,5-dichloro-6-methylcyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine
SMILESCC1C(Cl)=CC=CC1(Cl)C=NO
InChIInChI=1S/C8H9Cl2NO/c1-6-7(9)3-2-4-8(6,10)5-11-12/h2-6,12H,1H3
InChIKeyHFNFIWDRJJCVDM-UHFFFAOYSA-N
XLogP2.75
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 52.75
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 N-[(1,5-dichloro-6-methylcyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(1,5-dichloro-6-methylcyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine (CID 175471819) is N-[(1,5-dichloro-6-methylcyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(1,5-dichloro-6-methylcyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(1,5-dichloro-6-methylcyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine is CC1C(Cl)=CC=CC1(Cl)C=NO.
What is the InChIKey of N-[(1,5-dichloro-6-methylcyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine?
The InChIKey is HFNFIWDRJJCVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO/c1-6-7(9)3-2-4-8(6,10)5-11-12/h2-6,12H,1H3.
What are the key properties of N-[(1,5-dichloro-6-methylcyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine?
N-[(1,5-dichloro-6-methylcyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine has a molecular weight of 206.07 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dichloro-6-methylcyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 175471819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).