(NE)-N-[5-(3,4-dichlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine

C17H15Cl2NO — CID 45483834

IUPAC(NE)-N-[5-(3,4-dichlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine
SMILESCC1(C)C/C(=N\O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc21
InChIInChI=1S/C17H15Cl2NO/c1-17(2)9-16(20-21)12-5-3-10(7-13(12)17)11-4-6-14(18)15(19)8-11/h3-8,21H,9H2,1-2H3/b20-16+
InChIKeyFFUGFHFZKYRCRZ-CAPFRKAQSA-N
MW320.22 g/mol
LogP5.52
Rot. Bonds1

About (NE)-N-[5-(3,4-dichlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine

(NE)-N-[5-(3,4-dichlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine (PubChem CID 45483834) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is (NE)-N-[5-(3,4-dichlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[5-(3,4-dichlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine
PubChem CID45483834
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name(NE)-N-[5-(3,4-dichlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine
SMILESCC1(C)C/C(=N\O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc21
InChIInChI=1S/C17H15Cl2NO/c1-17(2)9-16(20-21)12-5-3-10(7-13(12)17)11-4-6-14(18)15(19)8-11/h3-8,21H,9H2,1-2H3/b20-16+
InChIKeyFFUGFHFZKYRCRZ-CAPFRKAQSA-N
XLogP5.52
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.22
LogP ≤ 55.52
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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[5-(3,4-dichlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[5-(3,4-dichlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine (CID 45483834) is (NE)-N-[5-(3,4-dichlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[5-(3,4-dichlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[5-(3,4-dichlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine is CC1(C)C/C(=N\O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc21.
What is the InChIKey of (NE)-N-[5-(3,4-dichlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine?
The InChIKey is FFUGFHFZKYRCRZ-CAPFRKAQSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c1-17(2)9-16(20-21)12-5-3-10(7-13(12)17)11-4-6-14(18)15(19)8-11/h3-8,21H,9H2,1-2H3/b20-16+.
What are the key properties of (NE)-N-[5-(3,4-dichlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine?
(NE)-N-[5-(3,4-dichlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine has a molecular weight of 320.22 g/mol, XLogP of 5.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[5-(3,4-dichlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine is sourced from PubChem (CID 45483834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).