N-(7-cyclopentyloxyspiro[3H-chromene-2,1'-cyclobutane]-4-ylidene)hydroxylamine

C17H21NO3 — CID 87133478

IUPACN-(7-cyclopentyloxyspiro[3H-chromene-2,1'-cyclobutane]-4-ylidene)hydroxylamine
SMILESON=C1CC2(CCC2)Oc2cc(OC3CCCC3)ccc21
InChIInChI=1S/C17H21NO3/c19-18-15-11-17(8-3-9-17)21-16-10-13(6-7-14(15)16)20-12-4-1-2-5-12/h6-7,10,12,19H,1-5,8-9,11H2
InChIKeyUWZQDLRCNIYBNW-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.89
Rot. Bonds2

About N-(7-cyclopentyloxyspiro[3H-chromene-2,1'-cyclobutane]-4-ylidene)hydroxylamine

N-(7-cyclopentyloxyspiro[3H-chromene-2,1'-cyclobutane]-4-ylidene)hydroxylamine (PubChem CID 87133478) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(7-cyclopentyloxyspiro[3H-chromene-2,1'-cyclobutane]-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(7-cyclopentyloxyspiro[3H-chromene-2,1'-cyclobutane]-4-ylidene)hydroxylamine
PubChem CID87133478
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-(7-cyclopentyloxyspiro[3H-chromene-2,1'-cyclobutane]-4-ylidene)hydroxylamine
SMILESON=C1CC2(CCC2)Oc2cc(OC3CCCC3)ccc21
InChIInChI=1S/C17H21NO3/c19-18-15-11-17(8-3-9-17)21-16-10-13(6-7-14(15)16)20-12-4-1-2-5-12/h6-7,10,12,19H,1-5,8-9,11H2
InChIKeyUWZQDLRCNIYBNW-UHFFFAOYSA-N
XLogP3.89
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.89
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'}

Analyze N-(7-cyclopentyloxyspiro[3H-chromene-2,1'-cyclobutane]-4-ylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(7-cyclopentyloxyspiro[3H-chromene-2,1'-cyclobutane]-4-ylidene)hydroxylamine?
The IUPAC name of N-(7-cyclopentyloxyspiro[3H-chromene-2,1'-cyclobutane]-4-ylidene)hydroxylamine (CID 87133478) is N-(7-cyclopentyloxyspiro[3H-chromene-2,1'-cyclobutane]-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(7-cyclopentyloxyspiro[3H-chromene-2,1'-cyclobutane]-4-ylidene)hydroxylamine?
The canonical SMILES for N-(7-cyclopentyloxyspiro[3H-chromene-2,1'-cyclobutane]-4-ylidene)hydroxylamine is ON=C1CC2(CCC2)Oc2cc(OC3CCCC3)ccc21.
What is the InChIKey of N-(7-cyclopentyloxyspiro[3H-chromene-2,1'-cyclobutane]-4-ylidene)hydroxylamine?
The InChIKey is UWZQDLRCNIYBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-18-15-11-17(8-3-9-17)21-16-10-13(6-7-14(15)16)20-12-4-1-2-5-12/h6-7,10,12,19H,1-5,8-9,11H2.
What are the key properties of N-(7-cyclopentyloxyspiro[3H-chromene-2,1'-cyclobutane]-4-ylidene)hydroxylamine?
N-(7-cyclopentyloxyspiro[3H-chromene-2,1'-cyclobutane]-4-ylidene)hydroxylamine has a molecular weight of 287.36 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-cyclopentyloxyspiro[3H-chromene-2,1'-cyclobutane]-4-ylidene)hydroxylamine is sourced from PubChem (CID 87133478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).