(1-amino-2,3-dihydroinden-1-yl) formate

C10H11NO2 — CID 57102593

IUPAC(1-amino-2,3-dihydroinden-1-yl) formate
SMILESNC1(OC=O)CCc2ccccc21
InChIInChI=1S/C10H11NO2/c11-10(13-7-12)6-5-8-3-1-2-4-9(8)10/h1-4,7H,5-6,11H2
InChIKeyJBZSPGUNXLIBCK-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.92
Rot. Bonds2

About (1-amino-2,3-dihydroinden-1-yl) formate

(1-amino-2,3-dihydroinden-1-yl) formate (PubChem CID 57102593) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (1-amino-2,3-dihydroinden-1-yl) formate.

Molecular Properties

Compound Name(1-amino-2,3-dihydroinden-1-yl) formate
PubChem CID57102593
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(1-amino-2,3-dihydroinden-1-yl) formate
SMILESNC1(OC=O)CCc2ccccc21
InChIInChI=1S/C10H11NO2/c11-10(13-7-12)6-5-8-3-1-2-4-9(8)10/h1-4,7H,5-6,11H2
InChIKeyJBZSPGUNXLIBCK-UHFFFAOYSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Aminoindanol
CID 19357388
(1r,2s)-cis-Aminoindanol
CID 21032378
1H-Inden-1-ol, 1-amino-2,3-dihydro-, (1S)-
CID 34178363
1-Amino-2,3-dihydroinden-1-ol;2,2,2-trifluoroacetic acid
CID 173126833
[(1S)-1-amino-2-ethyl-7-fluoro-2,3-dihydroinden-1-yl] acetate
CID 176122028
1-(Difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-amine
CID 177220268
[(1S)-1-amino-5-bromo-4-fluoro-2,3-dihydroinden-1-yl] formate
CID 175392880
CID 19357387
CID 19357387
1-Methoxy-2,3-dihydroinden-1-amine
CID 21714417
1,2-Dimethoxy-2,3-dihydroinden-1-amine
CID 21714418
(1-Amino-6-methyl-2,3-dihydroinden-1-yl) acetate
CID 66663792
1-Ethoxy-2,3-dihydroinden-1-amine
CID 67762795

Frequently Asked Questions

What is the IUPAC name of (1-amino-2,3-dihydroinden-1-yl) formate?
The IUPAC name of (1-amino-2,3-dihydroinden-1-yl) formate (CID 57102593) is (1-amino-2,3-dihydroinden-1-yl) formate.
What is the SMILES notation for (1-amino-2,3-dihydroinden-1-yl) formate?
The canonical SMILES for (1-amino-2,3-dihydroinden-1-yl) formate is NC1(OC=O)CCc2ccccc21.
What is the InChIKey of (1-amino-2,3-dihydroinden-1-yl) formate?
The InChIKey is JBZSPGUNXLIBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c11-10(13-7-12)6-5-8-3-1-2-4-9(8)10/h1-4,7H,5-6,11H2.
What are the key properties of (1-amino-2,3-dihydroinden-1-yl) formate?
(1-amino-2,3-dihydroinden-1-yl) formate has a molecular weight of 177.20 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2,3-dihydroinden-1-yl) formate is sourced from PubChem (CID 57102593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).