4,7-diamino-2,3-dihydro-1H-inden-2-ol

C9H12N2O — CID 58794764

IUPAC4,7-diamino-2,3-dihydro-1H-inden-2-ol
SMILESNc1ccc(N)c2c1CC(O)C2
InChIInChI=1S/C9H12N2O/c10-8-1-2-9(11)7-4-5(12)3-6(7)8/h1-2,5,12H,3-4,10-11H2
InChIKeyVSNLSKLLSKVIAJ-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.31
Rot. Bonds

About 4,7-diamino-2,3-dihydro-1H-inden-2-ol

4,7-diamino-2,3-dihydro-1H-inden-2-ol (PubChem CID 58794764) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4,7-diamino-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name4,7-diamino-2,3-dihydro-1H-inden-2-ol
PubChem CID58794764
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4,7-diamino-2,3-dihydro-1H-inden-2-ol
SMILESNc1ccc(N)c2c1CC(O)C2
InChIInChI=1S/C9H12N2O/c10-8-1-2-9(11)7-4-5(12)3-6(7)8/h1-2,5,12H,3-4,10-11H2
InChIKeyVSNLSKLLSKVIAJ-UHFFFAOYSA-N
XLogP0.31
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,7-diamino-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 4,7-diamino-2,3-dihydro-1H-inden-2-ol (CID 58794764) is 4,7-diamino-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 4,7-diamino-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 4,7-diamino-2,3-dihydro-1H-inden-2-ol is Nc1ccc(N)c2c1CC(O)C2.
What is the InChIKey of 4,7-diamino-2,3-dihydro-1H-inden-2-ol?
The InChIKey is VSNLSKLLSKVIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-8-1-2-9(11)7-4-5(12)3-6(7)8/h1-2,5,12H,3-4,10-11H2.
What are the key properties of 4,7-diamino-2,3-dihydro-1H-inden-2-ol?
4,7-diamino-2,3-dihydro-1H-inden-2-ol has a molecular weight of 164.21 g/mol, XLogP of 0.31, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diamino-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 58794764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).