(3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride

C10H12ClNO2 — CID 11608195

IUPAC(3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride
SMILESCOc1cccc2c1C(=O)C[C@H]2N.Cl
InChIInChI=1S/C10H11NO2.ClH/c1-13-9-4-2-3-6-7(11)5-8(12)10(6)9;/h2-4,7H,5,11H2,1H3;1H/t7-;/m1./s1
InChIKeyCRVJODFWDCTBAW-OGFXRTJISA-N
MW213.66 g/mol
LogP1.70
Rot. Bonds1

About (3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride

(3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride (PubChem CID 11608195) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride
PubChem CID11608195
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride
SMILESCOc1cccc2c1C(=O)C[C@H]2N.Cl
InChIInChI=1S/C10H11NO2.ClH/c1-13-9-4-2-3-6-7(11)5-8(12)10(6)9;/h2-4,7H,5,11H2,1H3;1H/t7-;/m1./s1
InChIKeyCRVJODFWDCTBAW-OGFXRTJISA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-7-propan-2-yl-2,3-dihydroinden-1-one
CID 130040004
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CID 19862989
(4aS,10bS)-7-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one
CID 56990672
(2R)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one
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CID 155907329
8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 175310251
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63820817
[(3R,4S)-11-methoxy-3-methyl-1,7,12-trioxo-3,4-dihydro-2H-benzo[a]anthracen-4-yl] 2-methylpropanoate
CID 102470148
4-fluoro-5-methoxy-9H-fluoren-9-amine
CID 82578577
4-methoxy-3-methylideneinden-1-one
CID 14973064
(3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one
CID 59627133

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride?
The IUPAC name of (3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride (CID 11608195) is (3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride.
What is the SMILES notation for (3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride?
The canonical SMILES for (3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride is COc1cccc2c1C(=O)C[C@H]2N.Cl.
What is the InChIKey of (3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride?
The InChIKey is CRVJODFWDCTBAW-OGFXRTJISA-N. The full InChI is InChI=1S/C10H11NO2.ClH/c1-13-9-4-2-3-6-7(11)5-8(12)10(6)9;/h2-4,7H,5,11H2,1H3;1H/t7-;/m1./s1.
What are the key properties of (3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride?
(3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride has a molecular weight of 213.66 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride is sourced from PubChem (CID 11608195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).