12-tert-butylspiro[10,11-dioxa-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8,1'-cyclopentane]

C17H23NO2 — CID 15321616

IUPAC12-tert-butylspiro[10,11-dioxa-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8,1'-cyclopentane]
SMILESCC(C)(C)N1C2OOC1C1(CCCC1)c1ccccc12
InChIInChI=1S/C17H23NO2/c1-16(2,3)18-14-12-8-4-5-9-13(12)17(10-6-7-11-17)15(18)20-19-14/h4-5,8-9,14-15H,6-7,10-11H2,1-3H3
InChIKeyCDMPZTLXLBFSOE-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.90
Rot. Bonds

About 12-tert-butylspiro[10,11-dioxa-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8,1'-cyclopentane]

12-tert-butylspiro[10,11-dioxa-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8,1'-cyclopentane] (PubChem CID 15321616) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 12-tert-butylspiro[10,11-dioxa-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8,1'-cyclopentane].

Molecular Properties

Compound Name12-tert-butylspiro[10,11-dioxa-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8,1'-cyclopentane]
PubChem CID15321616
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name12-tert-butylspiro[10,11-dioxa-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8,1'-cyclopentane]
SMILESCC(C)(C)N1C2OOC1C1(CCCC1)c1ccccc12
InChIInChI=1S/C17H23NO2/c1-16(2,3)18-14-12-8-4-5-9-13(12)17(10-6-7-11-17)15(18)20-19-14/h4-5,8-9,14-15H,6-7,10-11H2,1-3H3
InChIKeyCDMPZTLXLBFSOE-UHFFFAOYSA-N
XLogP3.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 12-tert-butylspiro[10,11-dioxa-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8,1'-cyclopentane] with MolForge

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

Launch Full Analysis

Related Compounds

spiro[4a,9a-dihydrofluorene-9,1'-cyclohexane]
CID 145280766
pentacyclo[6.6.6.01,19.02,7.09,14]icosa-2,4,6,9,11,13-hexaene
CID 167615076
8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene
CID 54289417
1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanol
CID 66436316
(1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol
CID 7055569
1-methylspiro[2H-indole-3,1'-cyclopentane]-2-carbonitrile
CID 10330820
(8R)-8-(tert-butylsulfinylamino)spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylic acid
CID 146485416
1-cyclohexyl-2-(1-methylcyclopentyl)benzene
CID 54179575
1-(2-tert-butylcyclopentyl)-2-(1-methylcyclopropyl)benzene
CID 168760678
1-tert-butylspiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxylic acid
CID 90970065
6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane]
CID 62522506
1-(1-methylcyclohexyl)-1H-indene
CID 150220559

Frequently Asked Questions

What is the IUPAC name of 12-tert-butylspiro[10,11-dioxa-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8,1'-cyclopentane]?
The IUPAC name of 12-tert-butylspiro[10,11-dioxa-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8,1'-cyclopentane] (CID 15321616) is 12-tert-butylspiro[10,11-dioxa-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8,1'-cyclopentane].
What is the SMILES notation for 12-tert-butylspiro[10,11-dioxa-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8,1'-cyclopentane]?
The canonical SMILES for 12-tert-butylspiro[10,11-dioxa-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8,1'-cyclopentane] is CC(C)(C)N1C2OOC1C1(CCCC1)c1ccccc12.
What is the InChIKey of 12-tert-butylspiro[10,11-dioxa-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8,1'-cyclopentane]?
The InChIKey is CDMPZTLXLBFSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-16(2,3)18-14-12-8-4-5-9-13(12)17(10-6-7-11-17)15(18)20-19-14/h4-5,8-9,14-15H,6-7,10-11H2,1-3H3.
What are the key properties of 12-tert-butylspiro[10,11-dioxa-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8,1'-cyclopentane]?
12-tert-butylspiro[10,11-dioxa-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8,1'-cyclopentane] has a molecular weight of 273.38 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-tert-butylspiro[10,11-dioxa-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8,1'-cyclopentane] is sourced from PubChem (CID 15321616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).