tert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate

C17H22N2O4 — CID 102106113

IUPACtert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate
SMILESC=CCO[C@@]1(NC(=O)OC(C)(C)C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C17H22N2O4/c1-6-11-22-17(18-15(21)23-16(2,3)4)12-9-7-8-10-13(12)19(5)14(17)20/h6-10H,1,11H2,2-5H3,(H,18,21)/t17-/m1/s1
InChIKeyOHJFLUHCVVATEN-QGZVFWFLSA-N
MW318.37 g/mol
LogP2.54
Rot. Bonds4

About tert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate

tert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate (PubChem CID 102106113) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate
PubChem CID102106113
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Nametert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate
SMILESC=CCO[C@@]1(NC(=O)OC(C)(C)C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C17H22N2O4/c1-6-11-22-17(18-15(21)23-16(2,3)4)12-9-7-8-10-13(12)19(5)14(17)20/h6-10H,1,11H2,2-5H3,(H,18,21)/t17-/m1/s1
InChIKeyOHJFLUHCVVATEN-QGZVFWFLSA-N
XLogP2.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[1-methyl-3-(nitromethyl)-2-oxoindol-3-yl]carbamate
CID 135027360
tert-butyl N-[(3R)-1-methyl-5-nitro-2-oxo-3-phenylmethoxyindol-3-yl]carbamate
CID 122397372
tert-butyl N-(1-benzyl-2-oxo-3-prop-2-enylindol-3-yl)carbamate
CID 102198631
tert-butyl N-[(3R)-3-diphenoxyphosphoryl-1-methyl-2-oxoindol-3-yl]carbamate
CID 102500658
tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate
CID 134849816
3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one
CID 132572568
methyl N-[2-[3-[3-[2-(methoxycarbonylamino)ethyl]-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]ethyl]carbamate
CID 132572136
tert-butyl N-[3-(4-methylphenyl)sulfanyl-2-oxo-1-propylindol-3-yl]carbamate
CID 146166817
(3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one
CID 102235966
tert-butyl N-[3-(4-chlorophenyl)sulfanyl-2-oxo-1-propylindol-3-yl]carbamate
CID 146166823
(2S,3R)-3-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylpropanoyl]amino]butanoic acid
CID 122228236
tert-butyl (3S)-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxo-4H-1-benzazepine-1-carboxylate
CID 70106836

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate (CID 102106113) is tert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate is C=CCO[C@@]1(NC(=O)OC(C)(C)C)C(=O)N(C)c2ccccc21.
What is the InChIKey of tert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate?
The InChIKey is OHJFLUHCVVATEN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-6-11-22-17(18-15(21)23-16(2,3)4)12-9-7-8-10-13(12)19(5)14(17)20/h6-10H,1,11H2,2-5H3,(H,18,21)/t17-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate?
tert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate has a molecular weight of 318.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate is sourced from PubChem (CID 102106113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).