(NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine

C13H17NO — CID 58826807

IUPAC(NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESCC(C)(C)c1ccc2c(c1)CC/C2=N/O
InChIInChI=1S/C13H17NO/c1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14-15/h5-6,8,15H,4,7H2,1-3H3/b14-12-
InChIKeyWQJMPIHKSIVROI-OWBHPGMISA-N
MW203.28 g/mol
LogP3.11
Rot. Bonds

About (NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine

(NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine (PubChem CID 58826807) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine
PubChem CID58826807
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESCC(C)(C)c1ccc2c(c1)CC/C2=N/O
InChIInChI=1S/C13H17NO/c1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14-15/h5-6,8,15H,4,7H2,1-3H3/b14-12-
InChIKeyWQJMPIHKSIVROI-OWBHPGMISA-N
XLogP3.11
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.11
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 (NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine (CID 58826807) is (NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine is CC(C)(C)c1ccc2c(c1)CC/C2=N/O.
What is the InChIKey of (NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The InChIKey is WQJMPIHKSIVROI-OWBHPGMISA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14-15/h5-6,8,15H,4,7H2,1-3H3/b14-12-.
What are the key properties of (NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
(NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine has a molecular weight of 203.28 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine is sourced from PubChem (CID 58826807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).