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

C18H19NO — CID 87781364

IUPAC(NE)-N-[3,3-dimethyl-5-(4-methylphenyl)-2H-inden-1-ylidene]hydroxylamine
SMILESCc1ccc(-c2ccc3c(c2)C(C)(C)C/C3=N\O)cc1
InChIInChI=1S/C18H19NO/c1-12-4-6-13(7-5-12)14-8-9-15-16(10-14)18(2,3)11-17(15)19-20/h4-10,20H,11H2,1-3H3/b19-17+
InChIKeyVOPPXQUZKPACDD-HTXNQAPBSA-N
MW265.36 g/mol
LogP4.52
Rot. Bonds1

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

(NE)-N-[3,3-dimethyl-5-(4-methylphenyl)-2H-inden-1-ylidene]hydroxylamine (PubChem CID 87781364) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (NE)-N-[3,3-dimethyl-5-(4-methylphenyl)-2H-inden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3,3-dimethyl-5-(4-methylphenyl)-2H-inden-1-ylidene]hydroxylamine
PubChem CID87781364
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(NE)-N-[3,3-dimethyl-5-(4-methylphenyl)-2H-inden-1-ylidene]hydroxylamine
SMILESCc1ccc(-c2ccc3c(c2)C(C)(C)C/C3=N\O)cc1
InChIInChI=1S/C18H19NO/c1-12-4-6-13(7-5-12)14-8-9-15-16(10-14)18(2,3)11-17(15)19-20/h4-10,20H,11H2,1-3H3/b19-17+
InChIKeyVOPPXQUZKPACDD-HTXNQAPBSA-N
XLogP4.52
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.52
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-[3,3-dimethyl-5-(4-methylphenyl)-2H-inden-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3,3-dimethyl-5-(4-methylphenyl)-2H-inden-1-ylidene]hydroxylamine (CID 87781364) is (NE)-N-[3,3-dimethyl-5-(4-methylphenyl)-2H-inden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3,3-dimethyl-5-(4-methylphenyl)-2H-inden-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3,3-dimethyl-5-(4-methylphenyl)-2H-inden-1-ylidene]hydroxylamine is Cc1ccc(-c2ccc3c(c2)C(C)(C)C/C3=N\O)cc1.
What is the InChIKey of (NE)-N-[3,3-dimethyl-5-(4-methylphenyl)-2H-inden-1-ylidene]hydroxylamine?
The InChIKey is VOPPXQUZKPACDD-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H19NO/c1-12-4-6-13(7-5-12)14-8-9-15-16(10-14)18(2,3)11-17(15)19-20/h4-10,20H,11H2,1-3H3/b19-17+.
What are the key properties of (NE)-N-[3,3-dimethyl-5-(4-methylphenyl)-2H-inden-1-ylidene]hydroxylamine?
(NE)-N-[3,3-dimethyl-5-(4-methylphenyl)-2H-inden-1-ylidene]hydroxylamine has a molecular weight of 265.36 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3,3-dimethyl-5-(4-methylphenyl)-2H-inden-1-ylidene]hydroxylamine is sourced from PubChem (CID 87781364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).