4-(ethoxyamino)-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol

C16H23NO3 — CID 87675926

IUPAC4-(ethoxyamino)-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
SMILESCCONC1CC2(CCC2)Oc2c1cc(O)c(C)c2C
InChIInChI=1S/C16H23NO3/c1-4-19-17-13-9-16(6-5-7-16)20-15-11(3)10(2)14(18)8-12(13)15/h8,13,17-18H,4-7,9H2,1-3H3
InChIKeyPEIKIKYYXVNQEU-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.30
Rot. Bonds3

About 4-(ethoxyamino)-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol

4-(ethoxyamino)-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol (PubChem CID 87675926) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-(ethoxyamino)-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol.

Molecular Properties

Compound Name4-(ethoxyamino)-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
PubChem CID87675926
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-(ethoxyamino)-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
SMILESCCONC1CC2(CCC2)Oc2c1cc(O)c(C)c2C
InChIInChI=1S/C16H23NO3/c1-4-19-17-13-9-16(6-5-7-16)20-15-11(3)10(2)14(18)8-12(13)15/h8,13,17-18H,4-7,9H2,1-3H3
InChIKeyPEIKIKYYXVNQEU-UHFFFAOYSA-N
XLogP3.30
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxyamino)-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?
The IUPAC name of 4-(ethoxyamino)-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol (CID 87675926) is 4-(ethoxyamino)-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol.
What is the SMILES notation for 4-(ethoxyamino)-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?
The canonical SMILES for 4-(ethoxyamino)-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol is CCONC1CC2(CCC2)Oc2c1cc(O)c(C)c2C.
What is the InChIKey of 4-(ethoxyamino)-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?
The InChIKey is PEIKIKYYXVNQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-19-17-13-9-16(6-5-7-16)20-15-11(3)10(2)14(18)8-12(13)15/h8,13,17-18H,4-7,9H2,1-3H3.
What are the key properties of 4-(ethoxyamino)-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?
4-(ethoxyamino)-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol has a molecular weight of 277.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxyamino)-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol is sourced from PubChem (CID 87675926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).