2-methyl-5-nitro-1,3-dihydroinden-2-ol

C10H11NO3 — CID 58734212

IUPAC2-methyl-5-nitro-1,3-dihydroinden-2-ol
SMILESCC1(O)Cc2ccc([N+](=O)[O-])cc2C1
InChIInChI=1S/C10H11NO3/c1-10(12)5-7-2-3-9(11(13)14)4-8(7)6-10/h2-4,12H,5-6H2,1H3
InChIKeyPIKMBXBIUSWFHK-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.44
Rot. Bonds1

About 2-methyl-5-nitro-1,3-dihydroinden-2-ol

2-methyl-5-nitro-1,3-dihydroinden-2-ol (PubChem CID 58734212) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-methyl-5-nitro-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-methyl-5-nitro-1,3-dihydroinden-2-ol
PubChem CID58734212
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-methyl-5-nitro-1,3-dihydroinden-2-ol
SMILESCC1(O)Cc2ccc([N+](=O)[O-])cc2C1
InChIInChI=1S/C10H11NO3/c1-10(12)5-7-2-3-9(11(13)14)4-8(7)6-10/h2-4,12H,5-6H2,1H3
InChIKeyPIKMBXBIUSWFHK-UHFFFAOYSA-N
XLogP1.44
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
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

tert-butyl N-(2-carbamoyl-5-nitro-1,3-dihydroinden-2-yl)carbamate
CID 131730923
(NE)-N-(2,2-dimethyl-6-nitro-3H-inden-1-ylidene)hydroxylamine
CID 142095043
CID 177384044
CID 177384044
4,4-dimethyl-7-nitro-2,3-dihydro-1H-naphthalene
CID 13463290
2,6-dinitro-9H-fluorene
CID 3582885
3,3-dimethyl-7-nitro-1,2,4,5-tetrahydro-3-benzazepin-3-ium
CID 69140709
2-(deuteriomethyl)-5-nitro-1,3-dihydroisoindole
CID 121375479
2',7'-dinitrospiro[1,3-dihydroindeno[5,6-g]naphthalene-2,9'-fluorene]-6,9-dione
CID 138982804
methyl-(7-nitro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)borinic acid
CID 149140996
(1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
CID 59952045
1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
CID 21338542
CID 132989920
CID 132989920

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitro-1,3-dihydroinden-2-ol?
The IUPAC name of 2-methyl-5-nitro-1,3-dihydroinden-2-ol (CID 58734212) is 2-methyl-5-nitro-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-methyl-5-nitro-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-methyl-5-nitro-1,3-dihydroinden-2-ol is CC1(O)Cc2ccc([N+](=O)[O-])cc2C1.
What is the InChIKey of 2-methyl-5-nitro-1,3-dihydroinden-2-ol?
The InChIKey is PIKMBXBIUSWFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-10(12)5-7-2-3-9(11(13)14)4-8(7)6-10/h2-4,12H,5-6H2,1H3.
What are the key properties of 2-methyl-5-nitro-1,3-dihydroinden-2-ol?
2-methyl-5-nitro-1,3-dihydroinden-2-ol has a molecular weight of 193.20 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitro-1,3-dihydroinden-2-ol is sourced from PubChem (CID 58734212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).