8-amino-6,7-dimethylspiro[3H-chromene-2,1'-cycloheptane]-4-one

C17H23NO2 — CID 82046453

IUPAC8-amino-6,7-dimethylspiro[3H-chromene-2,1'-cycloheptane]-4-one
SMILESCc1cc2c(c(N)c1C)OC1(CCCCCC1)CC2=O
InChIInChI=1S/C17H23NO2/c1-11-9-13-14(19)10-17(7-5-3-4-6-8-17)20-16(13)15(18)12(11)2/h9H,3-8,10,18H2,1-2H3
InChIKeyWYHGFONVKNLVEP-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.94
Rot. Bonds

About 8-amino-6,7-dimethylspiro[3H-chromene-2,1'-cycloheptane]-4-one

8-amino-6,7-dimethylspiro[3H-chromene-2,1'-cycloheptane]-4-one (PubChem CID 82046453) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 8-amino-6,7-dimethylspiro[3H-chromene-2,1'-cycloheptane]-4-one.

Molecular Properties

Compound Name8-amino-6,7-dimethylspiro[3H-chromene-2,1'-cycloheptane]-4-one
PubChem CID82046453
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name8-amino-6,7-dimethylspiro[3H-chromene-2,1'-cycloheptane]-4-one
SMILESCc1cc2c(c(N)c1C)OC1(CCCCCC1)CC2=O
InChIInChI=1S/C17H23NO2/c1-11-9-13-14(19)10-17(7-5-3-4-6-8-17)20-16(13)15(18)12(11)2/h9H,3-8,10,18H2,1-2H3
InChIKeyWYHGFONVKNLVEP-UHFFFAOYSA-N
XLogP3.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-amino-6-methylspiro[3H-chromene-2,1'-cycloheptane]-4-one
CID 82046296
8-amino-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 82046362
8-amino-6-chlorospiro[3H-chromene-2,1'-cycloheptane]-4-one
CID 82046391
6,8-difluorospiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 69014172
6-amino-1',7,8-trimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 82046423
6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 165352507
1'-(hydroxymethyl)-6,7,8-trimethylspiro[3H-chromene-2,3'-azetidine]-4-one
CID 170135718
6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 90985582
8-amino-6-fluoro-1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 82046364
1'-(2-chloroacetyl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734821
7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
CID 114672429
6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 3243908

Frequently Asked Questions

What is the IUPAC name of 8-amino-6,7-dimethylspiro[3H-chromene-2,1'-cycloheptane]-4-one?
The IUPAC name of 8-amino-6,7-dimethylspiro[3H-chromene-2,1'-cycloheptane]-4-one (CID 82046453) is 8-amino-6,7-dimethylspiro[3H-chromene-2,1'-cycloheptane]-4-one.
What is the SMILES notation for 8-amino-6,7-dimethylspiro[3H-chromene-2,1'-cycloheptane]-4-one?
The canonical SMILES for 8-amino-6,7-dimethylspiro[3H-chromene-2,1'-cycloheptane]-4-one is Cc1cc2c(c(N)c1C)OC1(CCCCCC1)CC2=O.
What is the InChIKey of 8-amino-6,7-dimethylspiro[3H-chromene-2,1'-cycloheptane]-4-one?
The InChIKey is WYHGFONVKNLVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11-9-13-14(19)10-17(7-5-3-4-6-8-17)20-16(13)15(18)12(11)2/h9H,3-8,10,18H2,1-2H3.
What are the key properties of 8-amino-6,7-dimethylspiro[3H-chromene-2,1'-cycloheptane]-4-one?
8-amino-6,7-dimethylspiro[3H-chromene-2,1'-cycloheptane]-4-one has a molecular weight of 273.38 g/mol, XLogP of 3.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6,7-dimethylspiro[3H-chromene-2,1'-cycloheptane]-4-one is sourced from PubChem (CID 82046453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).