tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate

C15H21NO3 — CID 59684529

IUPACtert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2ccccc2[C@H]1CO
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-13-8-10-6-4-5-7-11(10)12(13)9-17/h4-7,12-13,17H,8-9H2,1-3H3,(H,16,18)/t12-,13?/m1/s1
InChIKeyOOOPKOSZOUSYAO-PZORYLMUSA-N
MW263.34 g/mol
LogP2.21
Rot. Bonds2

About tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate

tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate (PubChem CID 59684529) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate
PubChem CID59684529
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2ccccc2[C@H]1CO
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-13-8-10-6-4-5-7-11(10)12(13)9-17/h4-7,12-13,17H,8-9H2,1-3H3,(H,16,18)/t12-,13?/m1/s1
InChIKeyOOOPKOSZOUSYAO-PZORYLMUSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R)-1-(3-hydroxypropylsulfanylmethyl)-2,3-dihydro-1H-inden-2-yl]carbamate
CID 142999076
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
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tert-butyl N-[(1R,2R)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfinamoylmethyl]-2,3-dihydro-1H-inden-2-yl]carbamate
CID 91541065
tert-butyl N-[(1S,2R)-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]carbamate
CID 67647320
methyl acetate;methyl 3-cyclopropyl-2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-1-yl]propanoate
CID 86642164
tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate
CID 146234658
tert-butyl N-[(2R)-2-[[(2S)-2-phenylpropanoyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 130292738
tert-butyl N-[(2S)-1-[(1-carbamoyl-2,3-dihydro-1H-inden-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10620381
tert-butyl N-[(1R,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]carbamate
CID 101136349
ethane;[(1S)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanol
CID 142999040

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate (CID 59684529) is tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate is CC(C)(C)OC(=O)NC1Cc2ccccc2[C@H]1CO.
What is the InChIKey of tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate?
The InChIKey is OOOPKOSZOUSYAO-PZORYLMUSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-13-8-10-6-4-5-7-11(10)12(13)9-17/h4-7,12-13,17H,8-9H2,1-3H3,(H,16,18)/t12-,13?/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate?
tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate is sourced from PubChem (CID 59684529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).