(2R)-2-methyl-5-nitro-2,3-dihydroinden-1-one

C10H9NO3 — CID 124630134

IUPAC(2R)-2-methyl-5-nitro-2,3-dihydroinden-1-one
SMILESC[C@@H]1Cc2cc([N+](=O)[O-])ccc2C1=O
InChIInChI=1S/C10H9NO3/c1-6-4-7-5-8(11(13)14)2-3-9(7)10(6)12/h2-3,5-6H,4H2,1H3/t6-/m1/s1
InChIKeyZSOMFYZHUCMIIJ-ZCFIWIBFSA-N
MW191.19 g/mol
LogP1.97
Rot. Bonds1

About (2R)-2-methyl-5-nitro-2,3-dihydroinden-1-one

(2R)-2-methyl-5-nitro-2,3-dihydroinden-1-one (PubChem CID 124630134) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is (2R)-2-methyl-5-nitro-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2R)-2-methyl-5-nitro-2,3-dihydroinden-1-one
PubChem CID124630134
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name(2R)-2-methyl-5-nitro-2,3-dihydroinden-1-one
SMILESC[C@@H]1Cc2cc([N+](=O)[O-])ccc2C1=O
InChIInChI=1S/C10H9NO3/c1-6-4-7-5-8(11(13)14)2-3-9(7)10(6)12/h2-3,5-6H,4H2,1H3/t6-/m1/s1
InChIKeyZSOMFYZHUCMIIJ-ZCFIWIBFSA-N
XLogP1.97
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-hydroxyethyl)-5-nitro-2,3-dihydroinden-1-one
CID 90078950
2-methyl-4-(3-nitrophenyl)-2,3-dihydroinden-1-one
CID 22172974
2-ethyl-6-nitro-2,3-dihydroinden-1-one
CID 154553846
(3S)-3-methyl-7-nitro-3,4-dihydro-2H-isoquinolin-1-one
CID 10798306
1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
CID 21338542
(1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
CID 59952045
2,6-dinitro-9H-fluorene
CID 3582885
ethane;2-methyl-6-nitro-4H-chromen-3-one
CID 142100004
(3R)-3-methyl-7-nitro-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 132599419
2-methyl-5-nitro-2,3-dihydroindol-1-amine
CID 154151667
CID 177384044
CID 177384044
(2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 56972107

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-5-nitro-2,3-dihydroinden-1-one?
The IUPAC name of (2R)-2-methyl-5-nitro-2,3-dihydroinden-1-one (CID 124630134) is (2R)-2-methyl-5-nitro-2,3-dihydroinden-1-one.
What is the SMILES notation for (2R)-2-methyl-5-nitro-2,3-dihydroinden-1-one?
The canonical SMILES for (2R)-2-methyl-5-nitro-2,3-dihydroinden-1-one is C[C@@H]1Cc2cc([N+](=O)[O-])ccc2C1=O.
What is the InChIKey of (2R)-2-methyl-5-nitro-2,3-dihydroinden-1-one?
The InChIKey is ZSOMFYZHUCMIIJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H9NO3/c1-6-4-7-5-8(11(13)14)2-3-9(7)10(6)12/h2-3,5-6H,4H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-methyl-5-nitro-2,3-dihydroinden-1-one?
(2R)-2-methyl-5-nitro-2,3-dihydroinden-1-one has a molecular weight of 191.19 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-5-nitro-2,3-dihydroinden-1-one is sourced from PubChem (CID 124630134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).