benzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate

C17H17NO3 — CID 15896226

IUPACbenzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESO=C(N[C@@H]1c2ccccc2C[C@H]1O)OCc1ccccc1
InChIInChI=1S/C17H17NO3/c19-15-10-13-8-4-5-9-14(13)16(15)18-17(20)21-11-12-6-2-1-3-7-12/h1-9,15-16,19H,10-11H2,(H,18,20)/t15-,16-/m1/s1
InChIKeyPJHDVFVGPKCGQX-HZPDHXFCSA-N
MW283.33 g/mol
LogP2.57
Rot. Bonds3

About benzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate

benzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 15896226) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is benzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID15896226
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namebenzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESO=C(N[C@@H]1c2ccccc2C[C@H]1O)OCc1ccccc1
InChIInChI=1S/C17H17NO3/c19-15-10-13-8-4-5-9-14(13)16(15)18-17(20)21-11-12-6-2-1-3-7-12/h1-9,15-16,19H,10-11H2,(H,18,20)/t15-,16-/m1/s1
InChIKeyPJHDVFVGPKCGQX-HZPDHXFCSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 61367021
[(1R,2S)-2-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-inden-1-yl] acetate
CID 100985430
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide
CID 10858934
(2S,6S)-4-hydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,6-bis(phenylmethoxy)heptanediamide
CID 10794328
benzyl N-[(2R,3R,4R)-4-(cyanomethyl)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 91171384
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
1-cyclopropyl-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 47374066
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 143231679
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-phenylethyl)urea
CID 75266020

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of benzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate (CID 15896226) is benzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for benzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for benzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate is O=C(N[C@@H]1c2ccccc2C[C@H]1O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is PJHDVFVGPKCGQX-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H17NO3/c19-15-10-13-8-4-5-9-14(13)16(15)18-17(20)21-11-12-6-2-1-3-7-12/h1-9,15-16,19H,10-11H2,(H,18,20)/t15-,16-/m1/s1.
What are the key properties of benzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate?
benzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 283.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 15896226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).