3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-benzo[f]indazole-7,1'-cyclopropane]-5-one

C20H20N2O — CID 153258879

IUPAC3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-benzo[f]indazole-7,1'-cyclopropane]-5-one
SMILESCc1[nH]nc2c1C(c1ccccc1)C1=C(C2)CC2(CC2)CC1=O
InChIInChI=1S/C20H20N2O/c1-12-17-15(22-21-12)9-14-10-20(7-8-20)11-16(23)18(14)19(17)13-5-3-2-4-6-13/h2-6,19H,7-11H2,1H3,(H,21,22)
InChIKeyWUUZJCALZKTGGK-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.85
Rot. Bonds1

About 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-benzo[f]indazole-7,1'-cyclopropane]-5-one

3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-benzo[f]indazole-7,1'-cyclopropane]-5-one (PubChem CID 153258879) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-benzo[f]indazole-7,1'-cyclopropane]-5-one.

Molecular Properties

Compound Name3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-benzo[f]indazole-7,1'-cyclopropane]-5-one
PubChem CID153258879
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-benzo[f]indazole-7,1'-cyclopropane]-5-one
SMILESCc1[nH]nc2c1C(c1ccccc1)C1=C(C2)CC2(CC2)CC1=O
InChIInChI=1S/C20H20N2O/c1-12-17-15(22-21-12)9-14-10-20(7-8-20)11-16(23)18(14)19(17)13-5-3-2-4-6-13/h2-6,19H,7-11H2,1H3,(H,21,22)
InChIKeyWUUZJCALZKTGGK-UHFFFAOYSA-N
XLogP3.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
CID 157464507
3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-7,1'-cyclopropane]-5-one
CID 136932277
4-(4-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
CID 148630063
4-(4-chlorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
CID 157214582
4-(2-methoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydrobenzo[f]indazol-5-one
CID 160550630
(4S)-4-(4-hydroxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 1474563
(8S)-6-methyl-8-[4-[(8S)-6-methyl-10-oxo-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3,6-trien-8-yl]phenyl]-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3,6-trien-10-one
CID 135930187
(8R)-6-methyl-8-[4-[(8R)-6-methyl-10-oxo-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3,6-trien-8-yl]phenyl]-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3,6-trien-10-one
CID 135930189
9-[4-[9-[5-[7,7-dimethyl-5-oxo-3-(trifluoromethyl)-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-4-yl]-2-pyridinyl]-3-methyl-5-oxospiro[2,4,6,8-tetrahydropyrazolo[3,4-b]quinoline-7,1'-cyclopropane]-4-yl]phenyl]-3-methyl-4-phenylspiro[2,4,6,8-tetrahydropyrazolo[3,4-b]quinoline-7,1'-cyclobutane]-5-one
CID 167078281
7,7-dimethyl-3,4-diphenyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 135833484
2-(3,7-dimethyl-5-oxo-4-phenyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-7-yl)-7,7-diethyl-3-methyl-4-phenyl-4,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
CID 136980576
4-(3-hydroxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 2998075

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-benzo[f]indazole-7,1'-cyclopropane]-5-one?
The IUPAC name of 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-benzo[f]indazole-7,1'-cyclopropane]-5-one (CID 153258879) is 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-benzo[f]indazole-7,1'-cyclopropane]-5-one.
What is the SMILES notation for 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-benzo[f]indazole-7,1'-cyclopropane]-5-one?
The canonical SMILES for 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-benzo[f]indazole-7,1'-cyclopropane]-5-one is Cc1[nH]nc2c1C(c1ccccc1)C1=C(C2)CC2(CC2)CC1=O.
What is the InChIKey of 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-benzo[f]indazole-7,1'-cyclopropane]-5-one?
The InChIKey is WUUZJCALZKTGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-12-17-15(22-21-12)9-14-10-20(7-8-20)11-16(23)18(14)19(17)13-5-3-2-4-6-13/h2-6,19H,7-11H2,1H3,(H,21,22).
What are the key properties of 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-benzo[f]indazole-7,1'-cyclopropane]-5-one?
3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-benzo[f]indazole-7,1'-cyclopropane]-5-one has a molecular weight of 304.39 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-benzo[f]indazole-7,1'-cyclopropane]-5-one is sourced from PubChem (CID 153258879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).