(4S)-4,7-dimethyl-1,2,4,5-tetrahydrobenzo[g]indazol-3-one

C13H14N2O — CID 7307639

IUPAC(4S)-4,7-dimethyl-1,2,4,5-tetrahydrobenzo[g]indazol-3-one
SMILESCc1ccc2c(c1)C[C@H](C)c1c-2[nH][nH]c1=O
InChIInChI=1S/C13H14N2O/c1-7-3-4-10-9(5-7)6-8(2)11-12(10)14-15-13(11)16/h3-5,8H,6H2,1-2H3,(H2,14,15,16)/t8-/m0/s1
InChIKeyGQDDLELHRAMLNJ-QMMMGPOBSA-N
MW214.27 g/mol
LogP2.34
Rot. Bonds

About (4S)-4,7-dimethyl-1,2,4,5-tetrahydrobenzo[g]indazol-3-one

(4S)-4,7-dimethyl-1,2,4,5-tetrahydrobenzo[g]indazol-3-one (PubChem CID 7307639) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (4S)-4,7-dimethyl-1,2,4,5-tetrahydrobenzo[g]indazol-3-one.

Molecular Properties

Compound Name(4S)-4,7-dimethyl-1,2,4,5-tetrahydrobenzo[g]indazol-3-one
PubChem CID7307639
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(4S)-4,7-dimethyl-1,2,4,5-tetrahydrobenzo[g]indazol-3-one
SMILESCc1ccc2c(c1)C[C@H](C)c1c-2[nH][nH]c1=O
InChIInChI=1S/C13H14N2O/c1-7-3-4-10-9(5-7)6-8(2)11-12(10)14-15-13(11)16/h3-5,8H,6H2,1-2H3,(H2,14,15,16)/t8-/m0/s1
InChIKeyGQDDLELHRAMLNJ-QMMMGPOBSA-N
XLogP2.34
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-bromo-5-methyl-2,3-dihydroinden-1-one
CID 177205826
(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 92982773
6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
CID 165442221
7,10-dimethyl-1,2,9,10-tetrahydrophenanthrene
CID 144613246
5-methyl-2-propyl-2,3-dihydroinden-1-one
CID 102386664
3,6,9-trimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[a]naphthalene
CID 144614767
5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 23561339
2,7-dimethyl-2,3-dihydrochromen-4-one
CID 584383
(2S)-2,5-dimethyl-3-methylidene-1,2-dihydroindene
CID 145271864
methane;9-methyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
CID 161223927
2,7-dimethyl-9,10-dihydrophenanthrene
CID 23550290
2-bromo-3,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one
CID 166474739

Frequently Asked Questions

What is the IUPAC name of (4S)-4,7-dimethyl-1,2,4,5-tetrahydrobenzo[g]indazol-3-one?
The IUPAC name of (4S)-4,7-dimethyl-1,2,4,5-tetrahydrobenzo[g]indazol-3-one (CID 7307639) is (4S)-4,7-dimethyl-1,2,4,5-tetrahydrobenzo[g]indazol-3-one.
What is the SMILES notation for (4S)-4,7-dimethyl-1,2,4,5-tetrahydrobenzo[g]indazol-3-one?
The canonical SMILES for (4S)-4,7-dimethyl-1,2,4,5-tetrahydrobenzo[g]indazol-3-one is Cc1ccc2c(c1)C[C@H](C)c1c-2[nH][nH]c1=O.
What is the InChIKey of (4S)-4,7-dimethyl-1,2,4,5-tetrahydrobenzo[g]indazol-3-one?
The InChIKey is GQDDLELHRAMLNJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14N2O/c1-7-3-4-10-9(5-7)6-8(2)11-12(10)14-15-13(11)16/h3-5,8H,6H2,1-2H3,(H2,14,15,16)/t8-/m0/s1.
What are the key properties of (4S)-4,7-dimethyl-1,2,4,5-tetrahydrobenzo[g]indazol-3-one?
(4S)-4,7-dimethyl-1,2,4,5-tetrahydrobenzo[g]indazol-3-one has a molecular weight of 214.27 g/mol, XLogP of 2.34, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,7-dimethyl-1,2,4,5-tetrahydrobenzo[g]indazol-3-one is sourced from PubChem (CID 7307639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).