tert-butyl N-[2-(5-methyl-1H-indol-3-yl)cyclopentyl]carbamate

C19H26N2O2 — CID 3468630

IUPACtert-butyl N-[2-(5-methyl-1H-indol-3-yl)cyclopentyl]carbamate
SMILESCc1ccc2[nH]cc(C3CCCC3NC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C19H26N2O2/c1-12-8-9-16-14(10-12)15(11-20-16)13-6-5-7-17(13)21-18(22)23-19(2,3)4/h8-11,13,17,20H,5-7H2,1-4H3,(H,21,22)
InChIKeyLHFRWIMZPXQPGJ-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.64
Rot. Bonds2

About tert-butyl N-[2-(5-methyl-1H-indol-3-yl)cyclopentyl]carbamate

tert-butyl N-[2-(5-methyl-1H-indol-3-yl)cyclopentyl]carbamate (PubChem CID 3468630) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl N-[2-(5-methyl-1H-indol-3-yl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-methyl-1H-indol-3-yl)cyclopentyl]carbamate
PubChem CID3468630
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Nametert-butyl N-[2-(5-methyl-1H-indol-3-yl)cyclopentyl]carbamate
SMILESCc1ccc2[nH]cc(C3CCCC3NC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C19H26N2O2/c1-12-8-9-16-14(10-12)15(11-20-16)13-6-5-7-17(13)21-18(22)23-19(2,3)4/h8-11,13,17,20H,5-7H2,1-4H3,(H,21,22)
InChIKeyLHFRWIMZPXQPGJ-UHFFFAOYSA-N
XLogP4.64
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(2S)-2-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 153378658
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(3R,4S)-4-(2-fluoro-5-methylphenyl)pyrrolidin-3-yl]carbamate
CID 66691976
(2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide
CID 126553219
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 146389218
tert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate
CID 107237644
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[(1S,2S)-2-[(3-bromo-5-methyl-2-pyridinyl)amino]cyclopentyl]carbamate
CID 118317030

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-methyl-1H-indol-3-yl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-methyl-1H-indol-3-yl)cyclopentyl]carbamate (CID 3468630) is tert-butyl N-[2-(5-methyl-1H-indol-3-yl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-methyl-1H-indol-3-yl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-methyl-1H-indol-3-yl)cyclopentyl]carbamate is Cc1ccc2[nH]cc(C3CCCC3NC(=O)OC(C)(C)C)c2c1.
What is the InChIKey of tert-butyl N-[2-(5-methyl-1H-indol-3-yl)cyclopentyl]carbamate?
The InChIKey is LHFRWIMZPXQPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-12-8-9-16-14(10-12)15(11-20-16)13-6-5-7-17(13)21-18(22)23-19(2,3)4/h8-11,13,17,20H,5-7H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[2-(5-methyl-1H-indol-3-yl)cyclopentyl]carbamate?
tert-butyl N-[2-(5-methyl-1H-indol-3-yl)cyclopentyl]carbamate has a molecular weight of 314.43 g/mol, XLogP of 4.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-methyl-1H-indol-3-yl)cyclopentyl]carbamate is sourced from PubChem (CID 3468630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).