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

C17H16ClNO — CID 45483824

IUPAC(NE)-N-[5-(3-chlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine
SMILESCC1(C)C/C(=N\O)c2ccc(-c3cccc(Cl)c3)cc21
InChIInChI=1S/C17H16ClNO/c1-17(2)10-16(19-20)14-7-6-12(9-15(14)17)11-4-3-5-13(18)8-11/h3-9,20H,10H2,1-2H3/b19-16+
InChIKeySZTKJQVTAVDNNQ-KNTRCKAVSA-N
MW285.77 g/mol
LogP4.87
Rot. Bonds1

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

(NE)-N-[5-(3-chlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine (PubChem CID 45483824) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is (NE)-N-[5-(3-chlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[5-(3-chlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine
PubChem CID45483824
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name(NE)-N-[5-(3-chlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine
SMILESCC1(C)C/C(=N\O)c2ccc(-c3cccc(Cl)c3)cc21
InChIInChI=1S/C17H16ClNO/c1-17(2)10-16(19-20)14-7-6-12(9-15(14)17)11-4-3-5-13(18)8-11/h3-9,20H,10H2,1-2H3/b19-16+
InChIKeySZTKJQVTAVDNNQ-KNTRCKAVSA-N
XLogP4.87
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.87
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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Related Compounds

(NE)-N-[5-(3,4-dichlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine
CID 45483834
(NE)-N-[3,3-dimethyl-5-(3-methylphenyl)-2H-inden-1-ylidene]hydroxylamine
CID 45483835
2,7-Dichloro-fluoren-9-one oxime
CID 31119
(1E)-1-(9H-fluoren-2-yl)ethanone oxime
CID 9562215
(NE)-N-[3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-2H-inden-1-ylidene]hydroxylamine
CID 87781731
(NE)-N-[3,3-dimethyl-5-[3-(trifluoromethyl)phenyl]-2H-inden-1-ylidene]hydroxylamine
CID 87781736
(NE)-N-[5-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine
CID 87781873
(NE)-N-[1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylidene]hydroxylamine
CID 118371893
(NZ)-N-[(Z)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-1-(1H-inden-5-yl)but-2-enylidene]hydroxylamine
CID 141271542
N-[3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-2H-inden-1-ylidene]hydroxylamine
CID 173159067
N-[3,3-dimethyl-5-[3-(trifluoromethyl)phenyl]-2H-inden-1-ylidene]hydroxylamine
CID 173159068
N-[5-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine
CID 173159095

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[5-(3-chlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[5-(3-chlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine (CID 45483824) is (NE)-N-[5-(3-chlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[5-(3-chlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[5-(3-chlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine is CC1(C)C/C(=N\O)c2ccc(-c3cccc(Cl)c3)cc21.
What is the InChIKey of (NE)-N-[5-(3-chlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine?
The InChIKey is SZTKJQVTAVDNNQ-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-17(2)10-16(19-20)14-7-6-12(9-15(14)17)11-4-3-5-13(18)8-11/h3-9,20H,10H2,1-2H3/b19-16+.
What are the key properties of (NE)-N-[5-(3-chlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine?
(NE)-N-[5-(3-chlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine has a molecular weight of 285.77 g/mol, XLogP of 4.87, 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-chlorophenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine is sourced from PubChem (CID 45483824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).