1-[(1R)-1-amino-5-methoxyinden-1-yl]ethanone

C12H13NO2 — CID 141269565

IUPAC1-[(1R)-1-amino-5-methoxyinden-1-yl]ethanone
SMILESCOc1ccc2c(c1)C=C[C@]2(N)C(C)=O
InChIInChI=1S/C12H13NO2/c1-8(14)12(13)6-5-9-7-10(15-2)3-4-11(9)12/h3-7H,13H2,1-2H3/t12-/m0/s1
InChIKeyKQOYPFFVQXNUSB-LBPRGKRZSA-N
MW203.24 g/mol
LogP1.47
Rot. Bonds2

About 1-[(1R)-1-amino-5-methoxyinden-1-yl]ethanone

1-[(1R)-1-amino-5-methoxyinden-1-yl]ethanone (PubChem CID 141269565) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[(1R)-1-amino-5-methoxyinden-1-yl]ethanone.

Molecular Properties

Compound Name1-[(1R)-1-amino-5-methoxyinden-1-yl]ethanone
PubChem CID141269565
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-[(1R)-1-amino-5-methoxyinden-1-yl]ethanone
SMILESCOc1ccc2c(c1)C=C[C@]2(N)C(C)=O
InChIInChI=1S/C12H13NO2/c1-8(14)12(13)6-5-9-7-10(15-2)3-4-11(9)12/h3-7H,13H2,1-2H3/t12-/m0/s1
InChIKeyKQOYPFFVQXNUSB-LBPRGKRZSA-N
XLogP1.47
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-1-methyl-2-propan-2-ylnaphthalene-1,2-diol
CID 10824457
1-(5-methoxy-1,1-dioxo-1-benzothiophen-2-yl)ethanone
CID 117121405
(1-butyl-6-methoxyinden-1-yl) acetate
CID 102387689
methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate
CID 83910529
N-[(2R)-6-methoxy-2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]hydroxylamine
CID 125494447
N-(1,1-dimethylinden-5-yl)-2-(4-methoxyphenyl)acetamide
CID 59921176
7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid
CID 67598336
(1-aminocyclopropyl)-(2-chloro-4-methoxyphenyl)methanone
CID 116924320
(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
CID 116576589
methyl 7-acetyl-4-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylate
CID 134986725
1-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 141281979
2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid
CID 23356760

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-amino-5-methoxyinden-1-yl]ethanone?
The IUPAC name of 1-[(1R)-1-amino-5-methoxyinden-1-yl]ethanone (CID 141269565) is 1-[(1R)-1-amino-5-methoxyinden-1-yl]ethanone.
What is the SMILES notation for 1-[(1R)-1-amino-5-methoxyinden-1-yl]ethanone?
The canonical SMILES for 1-[(1R)-1-amino-5-methoxyinden-1-yl]ethanone is COc1ccc2c(c1)C=C[C@]2(N)C(C)=O.
What is the InChIKey of 1-[(1R)-1-amino-5-methoxyinden-1-yl]ethanone?
The InChIKey is KQOYPFFVQXNUSB-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8(14)12(13)6-5-9-7-10(15-2)3-4-11(9)12/h3-7H,13H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[(1R)-1-amino-5-methoxyinden-1-yl]ethanone?
1-[(1R)-1-amino-5-methoxyinden-1-yl]ethanone has a molecular weight of 203.24 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-amino-5-methoxyinden-1-yl]ethanone is sourced from PubChem (CID 141269565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).