tert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate

C14H20N2O3 — CID 134952104

IUPACtert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NN1c2ccccc2CC1CO
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)15-16-11(9-17)8-10-6-4-5-7-12(10)16/h4-7,11,17H,8-9H2,1-3H3,(H,15,18)
InChIKeyVIACWDTZSBOBBC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.85
Rot. Bonds2

About tert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate

tert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate (PubChem CID 134952104) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate
PubChem CID134952104
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NN1c2ccccc2CC1CO
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)15-16-11(9-17)8-10-6-4-5-7-12(10)16/h4-7,11,17H,8-9H2,1-3H3,(H,15,18)
InChIKeyVIACWDTZSBOBBC-UHFFFAOYSA-N
XLogP1.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-tert-butyl-2,3-dihydroindol-2-yl]methanol
CID 68984738
tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate
CID 150205749
tert-butyl 2-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydroindole-1-carboxylate
CID 85217316
tert-butyl N-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]carbamate
CID 51217085
tert-butyl (2S)-2-(ethoxymethyl)-2,3-dihydroindole-1-carboxylate
CID 175968649
tert-butyl N-[(3S)-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]carbamate
CID 22868936
tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate
CID 11287775
tert-butyl N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate
CID 22868946
tert-butyl N-[1-(4-aminophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]carbamate
CID 59400239
tert-butyl N-[(3S)-1-[2-(methylamino)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]carbamate
CID 22868948
tert-butyl N-[3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]carbamate
CID 110427478
1-O-tert-butyl 2-O-methyl (2S)-2,3-dihydroindole-1,2-dicarboxylate
CID 7169783

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate (CID 134952104) is tert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate is CC(C)(C)OC(=O)NN1c2ccccc2CC1CO.
What is the InChIKey of tert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate?
The InChIKey is VIACWDTZSBOBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)15-16-11(9-17)8-10-6-4-5-7-12(10)16/h4-7,11,17H,8-9H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate?
tert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate is sourced from PubChem (CID 134952104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).