amino 1-methyl-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride

C11H14ClNO2 — CID 114986785

IUPACamino 1-methyl-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride
SMILESCC1c2ccccc2CC1C(=O)ON.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-7-9-5-3-2-4-8(9)6-10(7)11(13)14-12;/h2-5,7,10H,6,12H2,1H3;1H
InChIKeyPAXKDCGJKCAXJN-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.80
Rot. Bonds1

About amino 1-methyl-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride

amino 1-methyl-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride (PubChem CID 114986785) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is amino 1-methyl-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameamino 1-methyl-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride
PubChem CID114986785
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Nameamino 1-methyl-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride
SMILESCC1c2ccccc2CC1C(=O)ON.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-7-9-5-3-2-4-8(9)6-10(7)11(13)14-12;/h2-5,7,10H,6,12H2,1H3;1H
InChIKeyPAXKDCGJKCAXJN-UHFFFAOYSA-N
XLogP1.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.80
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

[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone
CID 15420517
ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride
CID 131852452
(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 122155821
(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70327463
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
CID 102322788
(1S,2S)-1,2-dimethyl-2,3-dihydro-1H-indene;ethane;methane
CID 157409915
2,3-dihydro-1H-indene-1,2-dicarboxylic acid
CID 21427203
1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 91536565
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid
CID 59125395
dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate
CID 13171844

Frequently Asked Questions

What is the IUPAC name of amino 1-methyl-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride?
The IUPAC name of amino 1-methyl-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride (CID 114986785) is amino 1-methyl-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride.
What is the SMILES notation for amino 1-methyl-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride?
The canonical SMILES for amino 1-methyl-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride is CC1c2ccccc2CC1C(=O)ON.Cl.
What is the InChIKey of amino 1-methyl-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride?
The InChIKey is PAXKDCGJKCAXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-7-9-5-3-2-4-8(9)6-10(7)11(13)14-12;/h2-5,7,10H,6,12H2,1H3;1H.
What are the key properties of amino 1-methyl-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride?
amino 1-methyl-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino 1-methyl-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride is sourced from PubChem (CID 114986785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).