(1-nitro-2,3-dihydroinden-1-yl)methanol

C10H11NO3 — CID 10774145

IUPAC(1-nitro-2,3-dihydroinden-1-yl)methanol
SMILESO=[N+]([O-])C1(CO)CCc2ccccc21
InChIInChI=1S/C10H11NO3/c12-7-10(11(13)14)6-5-8-3-1-2-4-9(8)10/h1-4,12H,5-7H2
InChIKeyLHFWDQNBFGIGGS-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.10
Rot. Bonds2

About (1-nitro-2,3-dihydroinden-1-yl)methanol

(1-nitro-2,3-dihydroinden-1-yl)methanol (PubChem CID 10774145) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (1-nitro-2,3-dihydroinden-1-yl)methanol.

Molecular Properties

Compound Name(1-nitro-2,3-dihydroinden-1-yl)methanol
PubChem CID10774145
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(1-nitro-2,3-dihydroinden-1-yl)methanol
SMILESO=[N+]([O-])C1(CO)CCc2ccccc21
InChIInChI=1S/C10H11NO3/c12-7-10(11(13)14)6-5-8-3-1-2-4-9(8)10/h1-4,12H,5-7H2
InChIKeyLHFWDQNBFGIGGS-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
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 (1-nitro-2,3-dihydroinden-1-yl)methanol?
The IUPAC name of (1-nitro-2,3-dihydroinden-1-yl)methanol (CID 10774145) is (1-nitro-2,3-dihydroinden-1-yl)methanol.
What is the SMILES notation for (1-nitro-2,3-dihydroinden-1-yl)methanol?
The canonical SMILES for (1-nitro-2,3-dihydroinden-1-yl)methanol is O=[N+]([O-])C1(CO)CCc2ccccc21.
What is the InChIKey of (1-nitro-2,3-dihydroinden-1-yl)methanol?
The InChIKey is LHFWDQNBFGIGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-7-10(11(13)14)6-5-8-3-1-2-4-9(8)10/h1-4,12H,5-7H2.
What are the key properties of (1-nitro-2,3-dihydroinden-1-yl)methanol?
(1-nitro-2,3-dihydroinden-1-yl)methanol has a molecular weight of 193.20 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-nitro-2,3-dihydroinden-1-yl)methanol is sourced from PubChem (CID 10774145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).