(NZ)-N-[(3Z)-3-hydroxyimino-2-phenyl-3a,7a-dihydroinden-1-ylidene]hydroxylamine

C15H14N2O2 — CID 88882741

IUPAC(NZ)-N-[(3Z)-3-hydroxyimino-2-phenyl-3a,7a-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1\C(c2ccccc2)/C(=N\O)C2C=CC=CC12
InChIInChI=1S/C15H14N2O2/c18-16-14-11-8-4-5-9-12(11)15(17-19)13(14)10-6-2-1-3-7-10/h1-9,11-13,18-19H/b16-14-,17-15-
InChIKeyIYBGJWNPWORPJP-RYOQUFEFSA-N
MW254.29 g/mol
LogP2.80
Rot. Bonds1

About (NZ)-N-[(3Z)-3-hydroxyimino-2-phenyl-3a,7a-dihydroinden-1-ylidene]hydroxylamine

(NZ)-N-[(3Z)-3-hydroxyimino-2-phenyl-3a,7a-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 88882741) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (NZ)-N-[(3Z)-3-hydroxyimino-2-phenyl-3a,7a-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3Z)-3-hydroxyimino-2-phenyl-3a,7a-dihydroinden-1-ylidene]hydroxylamine
PubChem CID88882741
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(NZ)-N-[(3Z)-3-hydroxyimino-2-phenyl-3a,7a-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1\C(c2ccccc2)/C(=N\O)C2C=CC=CC12
InChIInChI=1S/C15H14N2O2/c18-16-14-11-8-4-5-9-12(11)15(17-19)13(14)10-6-2-1-3-7-10/h1-9,11-13,18-19H/b16-14-,17-15-
InChIKeyIYBGJWNPWORPJP-RYOQUFEFSA-N
XLogP2.80
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (NZ)-N-[(3Z)-3-hydroxyimino-2-phenyl-3a,7a-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3Z)-3-hydroxyimino-2-phenyl-3a,7a-dihydroinden-1-ylidene]hydroxylamine (CID 88882741) is (NZ)-N-[(3Z)-3-hydroxyimino-2-phenyl-3a,7a-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3Z)-3-hydroxyimino-2-phenyl-3a,7a-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3Z)-3-hydroxyimino-2-phenyl-3a,7a-dihydroinden-1-ylidene]hydroxylamine is O/N=C1\C(c2ccccc2)/C(=N\O)C2C=CC=CC12.
What is the InChIKey of (NZ)-N-[(3Z)-3-hydroxyimino-2-phenyl-3a,7a-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is IYBGJWNPWORPJP-RYOQUFEFSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-16-14-11-8-4-5-9-12(11)15(17-19)13(14)10-6-2-1-3-7-10/h1-9,11-13,18-19H/b16-14-,17-15-.
What are the key properties of (NZ)-N-[(3Z)-3-hydroxyimino-2-phenyl-3a,7a-dihydroinden-1-ylidene]hydroxylamine?
(NZ)-N-[(3Z)-3-hydroxyimino-2-phenyl-3a,7a-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 254.29 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3Z)-3-hydroxyimino-2-phenyl-3a,7a-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 88882741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).