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

C18H26N2O2 — CID 164603518

IUPACtert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1N1CCCC1
InChIInChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)19-16-14-9-5-4-8-13(14)12-15(16)20-10-6-7-11-20/h4-5,8-9,15-16H,6-7,10-12H2,1-3H3,(H,19,21)/t15-,16-/m1/s1
InChIKeyFCTYFBIMBBHYAS-HZPDHXFCSA-N
MW302.42 g/mol
LogP3.27
Rot. Bonds2

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

tert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 164603518) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID164603518
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nametert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1N1CCCC1
InChIInChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)19-16-14-9-5-4-8-13(14)12-15(16)20-10-6-7-11-20/h4-5,8-9,15-16H,6-7,10-12H2,1-3H3,(H,19,21)/t15-,16-/m1/s1
InChIKeyFCTYFBIMBBHYAS-HZPDHXFCSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11514113
tert-butyl N-[(3S)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4,4-dimethylpent-1-en-3-yl]carbamate
CID 67593095
tert-butyl N-[(2R)-2-[[(2S)-2-phenylpropanoyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 130292738
tert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate
CID 67358967
tert-butyl N-[(2S)-2-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 153378658
tert-butyl N-[(1S,4S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxycyclopentyl]carbamate
CID 163807707
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1-carboxamide
CID 112729494
tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate
CID 59684529
tert-butyl N-[(1S,2S)-2-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 130292899
tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 28875372

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate (CID 164603518) is tert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1N1CCCC1.
What is the InChIKey of tert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is FCTYFBIMBBHYAS-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)19-16-14-9-5-4-8-13(14)12-15(16)20-10-6-7-11-20/h4-5,8-9,15-16H,6-7,10-12H2,1-3H3,(H,19,21)/t15-,16-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate?
tert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 302.42 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 164603518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).