2-phenylspiro[1,5-dihydrobenzo[g]indazole-4,1'-cyclohexane]-3-one

C22H22N2O — CID 910003

IUPAC2-phenylspiro[1,5-dihydrobenzo[g]indazole-4,1'-cyclohexane]-3-one
SMILESO=c1c2c([nH]n1-c1ccccc1)-c1ccccc1CC21CCCCC1
InChIInChI=1S/C22H22N2O/c25-21-19-20(23-24(21)17-10-3-1-4-11-17)18-12-6-5-9-16(18)15-22(19)13-7-2-8-14-22/h1,3-6,9-12,23H,2,7-8,13-15H2
InChIKeyMBWNXBJZZIXDIE-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.59
Rot. Bonds1

About 2-phenylspiro[1,5-dihydrobenzo[g]indazole-4,1'-cyclohexane]-3-one

2-phenylspiro[1,5-dihydrobenzo[g]indazole-4,1'-cyclohexane]-3-one (PubChem CID 910003) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-phenylspiro[1,5-dihydrobenzo[g]indazole-4,1'-cyclohexane]-3-one.

Molecular Properties

Compound Name2-phenylspiro[1,5-dihydrobenzo[g]indazole-4,1'-cyclohexane]-3-one
PubChem CID910003
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name2-phenylspiro[1,5-dihydrobenzo[g]indazole-4,1'-cyclohexane]-3-one
SMILESO=c1c2c([nH]n1-c1ccccc1)-c1ccccc1CC21CCCCC1
InChIInChI=1S/C22H22N2O/c25-21-19-20(23-24(21)17-10-3-1-4-11-17)18-12-6-5-9-16(18)15-22(19)13-7-2-8-14-22/h1,3-6,9-12,23H,2,7-8,13-15H2
InChIKeyMBWNXBJZZIXDIE-UHFFFAOYSA-N
XLogP4.59
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-phenylspiro[1,5-dihydrobenzo[g]indazole-4,1'-cyclohexane]-3-one 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

12-phenylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one
CID 1070552
3-(cyclopentylmethyl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
CID 1212774
3-[(4-methoxyphenyl)methyl]-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
CID 5125777
2-(piperidin-1-ylmethyl)spiro[3,6-dihydrobenzo[f]isoquinoline-5,1'-cyclohexane]-4-one
CID 118446756
3-benzyl-2-hydrazinylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
CID 2861831
N'-(3-benzyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)propanehydrazide
CID 5221655
1-benzyl-3-(furan-2-ylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2,4-dione
CID 139074486
2-hydrazinyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
CID 1359211
12-benzylspiro[12,14,15,16,17-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclopentane]-11-one
CID 650929
12-(2-methylphenyl)-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one
CID 3552128
2-(azepan-1-ylmethyl)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cycloheptane]-4-one
CID 172643660
(14R)-14-phenylspiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one
CID 1346293

Frequently Asked Questions

What is the IUPAC name of 2-phenylspiro[1,5-dihydrobenzo[g]indazole-4,1'-cyclohexane]-3-one?
The IUPAC name of 2-phenylspiro[1,5-dihydrobenzo[g]indazole-4,1'-cyclohexane]-3-one (CID 910003) is 2-phenylspiro[1,5-dihydrobenzo[g]indazole-4,1'-cyclohexane]-3-one.
What is the SMILES notation for 2-phenylspiro[1,5-dihydrobenzo[g]indazole-4,1'-cyclohexane]-3-one?
The canonical SMILES for 2-phenylspiro[1,5-dihydrobenzo[g]indazole-4,1'-cyclohexane]-3-one is O=c1c2c([nH]n1-c1ccccc1)-c1ccccc1CC21CCCCC1.
What is the InChIKey of 2-phenylspiro[1,5-dihydrobenzo[g]indazole-4,1'-cyclohexane]-3-one?
The InChIKey is MBWNXBJZZIXDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c25-21-19-20(23-24(21)17-10-3-1-4-11-17)18-12-6-5-9-16(18)15-22(19)13-7-2-8-14-22/h1,3-6,9-12,23H,2,7-8,13-15H2.
What are the key properties of 2-phenylspiro[1,5-dihydrobenzo[g]indazole-4,1'-cyclohexane]-3-one?
2-phenylspiro[1,5-dihydrobenzo[g]indazole-4,1'-cyclohexane]-3-one has a molecular weight of 330.43 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylspiro[1,5-dihydrobenzo[g]indazole-4,1'-cyclohexane]-3-one is sourced from PubChem (CID 910003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).