(3H-inden-1-ylamino) acetate

C11H11NO2 — CID 57202391

IUPAC(3H-inden-1-ylamino) acetate
SMILESCC(=O)ONC1=CCc2ccccc21
InChIInChI=1S/C11H11NO2/c1-8(13)14-12-11-7-6-9-4-2-3-5-10(9)11/h2-5,7,12H,6H2,1H3
InChIKeyPMDADMGXSXFTDP-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.65
Rot. Bonds2

About (3H-inden-1-ylamino) acetate

(3H-inden-1-ylamino) acetate (PubChem CID 57202391) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (3H-inden-1-ylamino) acetate.

Molecular Properties

Compound Name(3H-inden-1-ylamino) acetate
PubChem CID57202391
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(3H-inden-1-ylamino) acetate
SMILESCC(=O)ONC1=CCc2ccccc21
InChIInChI=1S/C11H11NO2/c1-8(13)14-12-11-7-6-9-4-2-3-5-10(9)11/h2-5,7,12H,6H2,1H3
InChIKeyPMDADMGXSXFTDP-UHFFFAOYSA-N
XLogP1.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-Phenylmaleisoimide
CID 568654
3-Phenyl-4-methyl-5-hydroxy-isoxazole
CID 576162
6-fluoro-N-methoxy-3H-inden-1-amine
CID 91246729
Tolyl-oxazine
CID 155490180
5-Hydroxy-3-[2-(trifluoromethyl)phenyl]isoxazole
CID 95656303
(Benzylamino) acetate
CID 12482310
(1-Phenylethylamino) acetate
CID 13587231
3-(4-Methylphenyl)-1,2-oxazol-5-ol
CID 23469387
N-methoxy-1-(2-methylphenyl)ethenamine
CID 57064176
(4-Prop-2-enylanilino) acetate
CID 57064388
4-(Methoxyamino)-4-phenylbut-3-enoic acid
CID 57132656
N-methoxy-3H-inden-1-amine
CID 57214905

Frequently Asked Questions

What is the IUPAC name of (3H-inden-1-ylamino) acetate?
The IUPAC name of (3H-inden-1-ylamino) acetate (CID 57202391) is (3H-inden-1-ylamino) acetate.
What is the SMILES notation for (3H-inden-1-ylamino) acetate?
The canonical SMILES for (3H-inden-1-ylamino) acetate is CC(=O)ONC1=CCc2ccccc21.
What is the InChIKey of (3H-inden-1-ylamino) acetate?
The InChIKey is PMDADMGXSXFTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8(13)14-12-11-7-6-9-4-2-3-5-10(9)11/h2-5,7,12H,6H2,1H3.
What are the key properties of (3H-inden-1-ylamino) acetate?
(3H-inden-1-ylamino) acetate has a molecular weight of 189.21 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3H-inden-1-ylamino) acetate is sourced from PubChem (CID 57202391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).