(NZ)-N-(5,7-dimethoxyspiro[2H-indene-3,1'-cycloheptane]-1-ylidene)hydroxylamine

C17H23NO3 — CID 177495479

IUPAC(NZ)-N-(5,7-dimethoxyspiro[2H-indene-3,1'-cycloheptane]-1-ylidene)hydroxylamine
SMILESCOc1cc(OC)c2c(c1)C1(CCCCCC1)C/C2=N/O
InChIInChI=1S/C17H23NO3/c1-20-12-9-13-16(15(10-12)21-2)14(18-19)11-17(13)7-5-3-4-6-8-17/h9-10,19H,3-8,11H2,1-2H3/b18-14-
InChIKeyAZUVVGFHPGPECZ-JXAWBTAJSA-N
MW289.38 g/mol
LogP3.88
Rot. Bonds2

About (NZ)-N-(5,7-dimethoxyspiro[2H-indene-3,1'-cycloheptane]-1-ylidene)hydroxylamine

(NZ)-N-(5,7-dimethoxyspiro[2H-indene-3,1'-cycloheptane]-1-ylidene)hydroxylamine (PubChem CID 177495479) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (NZ)-N-(5,7-dimethoxyspiro[2H-indene-3,1'-cycloheptane]-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(5,7-dimethoxyspiro[2H-indene-3,1'-cycloheptane]-1-ylidene)hydroxylamine
PubChem CID177495479
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(NZ)-N-(5,7-dimethoxyspiro[2H-indene-3,1'-cycloheptane]-1-ylidene)hydroxylamine
SMILESCOc1cc(OC)c2c(c1)C1(CCCCCC1)C/C2=N/O
InChIInChI=1S/C17H23NO3/c1-20-12-9-13-16(15(10-12)21-2)14(18-19)11-17(13)7-5-3-4-6-8-17/h9-10,19H,3-8,11H2,1-2H3/b18-14-
InChIKeyAZUVVGFHPGPECZ-JXAWBTAJSA-N
XLogP3.88
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
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-(5,7-dimethoxyspiro[2H-indene-3,1'-cycloheptane]-1-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(5,7-dimethoxyspiro[2H-indene-3,1'-cycloheptane]-1-ylidene)hydroxylamine (CID 177495479) is (NZ)-N-(5,7-dimethoxyspiro[2H-indene-3,1'-cycloheptane]-1-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(5,7-dimethoxyspiro[2H-indene-3,1'-cycloheptane]-1-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(5,7-dimethoxyspiro[2H-indene-3,1'-cycloheptane]-1-ylidene)hydroxylamine is COc1cc(OC)c2c(c1)C1(CCCCCC1)C/C2=N/O.
What is the InChIKey of (NZ)-N-(5,7-dimethoxyspiro[2H-indene-3,1'-cycloheptane]-1-ylidene)hydroxylamine?
The InChIKey is AZUVVGFHPGPECZ-JXAWBTAJSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-12-9-13-16(15(10-12)21-2)14(18-19)11-17(13)7-5-3-4-6-8-17/h9-10,19H,3-8,11H2,1-2H3/b18-14-.
What are the key properties of (NZ)-N-(5,7-dimethoxyspiro[2H-indene-3,1'-cycloheptane]-1-ylidene)hydroxylamine?
(NZ)-N-(5,7-dimethoxyspiro[2H-indene-3,1'-cycloheptane]-1-ylidene)hydroxylamine has a molecular weight of 289.38 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(5,7-dimethoxyspiro[2H-indene-3,1'-cycloheptane]-1-ylidene)hydroxylamine is sourced from PubChem (CID 177495479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).