3-(nitromethyl)-2,3-dihydro-1H-inden-1-ol

C10H11NO3 — CID 130114095

IUPAC3-(nitromethyl)-2,3-dihydro-1H-inden-1-ol
SMILESO=[N+]([O-])CC1CC(O)c2ccccc21
InChIInChI=1S/C10H11NO3/c12-10-5-7(6-11(13)14)8-3-1-2-4-9(8)10/h1-4,7,10,12H,5-6H2
InChIKeyDCLDXXUFXBGUQQ-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.48
Rot. Bonds2

About 3-(nitromethyl)-2,3-dihydro-1H-inden-1-ol

3-(nitromethyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 130114095) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-(nitromethyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name3-(nitromethyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID130114095
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3-(nitromethyl)-2,3-dihydro-1H-inden-1-ol
SMILESO=[N+]([O-])CC1CC(O)c2ccccc21
InChIInChI=1S/C10H11NO3/c12-10-5-7(6-11(13)14)8-3-1-2-4-9(8)10/h1-4,7,10,12H,5-6H2
InChIKeyDCLDXXUFXBGUQQ-UHFFFAOYSA-N
XLogP1.48
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of 3-(nitromethyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 3-(nitromethyl)-2,3-dihydro-1H-inden-1-ol (CID 130114095) is 3-(nitromethyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 3-(nitromethyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 3-(nitromethyl)-2,3-dihydro-1H-inden-1-ol is O=[N+]([O-])CC1CC(O)c2ccccc21.
What is the InChIKey of 3-(nitromethyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is DCLDXXUFXBGUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-10-5-7(6-11(13)14)8-3-1-2-4-9(8)10/h1-4,7,10,12H,5-6H2.
What are the key properties of 3-(nitromethyl)-2,3-dihydro-1H-inden-1-ol?
3-(nitromethyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 193.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(nitromethyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 130114095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).