2-methyl-2-nitroso-3H-inden-1-one

C10H9NO2 — CID 86209895

IUPAC2-methyl-2-nitroso-3H-inden-1-one
SMILESCC1(N=O)Cc2ccccc2C1=O
InChIInChI=1S/C10H9NO2/c1-10(11-13)6-7-4-2-3-5-8(7)9(10)12/h2-5H,6H2,1H3
InChIKeyDQCSHWYDMZLURG-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.95
Rot. Bonds1

About 2-methyl-2-nitroso-3H-inden-1-one

2-methyl-2-nitroso-3H-inden-1-one (PubChem CID 86209895) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-methyl-2-nitroso-3H-inden-1-one.

Molecular Properties

Compound Name2-methyl-2-nitroso-3H-inden-1-one
PubChem CID86209895
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2-methyl-2-nitroso-3H-inden-1-one
SMILESCC1(N=O)Cc2ccccc2C1=O
InChIInChI=1S/C10H9NO2/c1-10(11-13)6-7-4-2-3-5-8(7)9(10)12/h2-5H,6H2,1H3
InChIKeyDQCSHWYDMZLURG-UHFFFAOYSA-N
XLogP1.95
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one
CID 14120941
2-[difluoro(iodo)methyl]-2-methyl-3H-inden-1-one
CID 46831315
2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one
CID 141404738
2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile
CID 122218044
2-(2-azidoethyl)-2-methyl-3H-inden-1-one
CID 59542335
(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 45096682
methyl 2-methoxy-3-oxo-1H-indene-2-carboxylate
CID 102173835
2,2-diethoxy-3H-inden-1-one
CID 11557601
2-(hydroxymethyl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 11344499
2,2-bis(trifluoromethyl)-3H-inden-1-one
CID 10015841
2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one
CID 11737107
2-[1-(dimethylamino)ethyl-methylamino]-2-methyl-3H-inden-1-one
CID 20679411

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-nitroso-3H-inden-1-one?
The IUPAC name of 2-methyl-2-nitroso-3H-inden-1-one (CID 86209895) is 2-methyl-2-nitroso-3H-inden-1-one.
What is the SMILES notation for 2-methyl-2-nitroso-3H-inden-1-one?
The canonical SMILES for 2-methyl-2-nitroso-3H-inden-1-one is CC1(N=O)Cc2ccccc2C1=O.
What is the InChIKey of 2-methyl-2-nitroso-3H-inden-1-one?
The InChIKey is DQCSHWYDMZLURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-10(11-13)6-7-4-2-3-5-8(7)9(10)12/h2-5H,6H2,1H3.
What are the key properties of 2-methyl-2-nitroso-3H-inden-1-one?
2-methyl-2-nitroso-3H-inden-1-one has a molecular weight of 175.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-nitroso-3H-inden-1-one is sourced from PubChem (CID 86209895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).