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

C17H22N2O2 — CID 169468877

IUPACtert-butyl N-[3-(2-methyl-1H-indol-3-yl)prop-2-enyl]carbamate
SMILESCc1[nH]c2ccccc2c1C=CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H22N2O2/c1-12-13(14-8-5-6-10-15(14)19-12)9-7-11-18-16(20)21-17(2,3)4/h5-10,19H,11H2,1-4H3,(H,18,20)
InChIKeyCWNZYOWFBPXNEA-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.01
Rot. Bonds3

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

tert-butyl N-[3-(2-methyl-1H-indol-3-yl)prop-2-enyl]carbamate (PubChem CID 169468877) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is tert-butyl N-[3-(2-methyl-1H-indol-3-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-methyl-1H-indol-3-yl)prop-2-enyl]carbamate
PubChem CID169468877
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Nametert-butyl N-[3-(2-methyl-1H-indol-3-yl)prop-2-enyl]carbamate
SMILESCc1[nH]c2ccccc2c1C=CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H22N2O2/c1-12-13(14-8-5-6-10-15(14)19-12)9-7-11-18-16(20)21-17(2,3)4/h5-10,19H,11H2,1-4H3,(H,18,20)
InChIKeyCWNZYOWFBPXNEA-UHFFFAOYSA-N
XLogP4.01
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]-1H-indole-2-carboxylic acid
CID 169468300
tert-butyl N-[3-(10-chloroanthracen-9-yl)prop-2-enyl]carbamate
CID 169468652
tert-butyl N-[3-(2H-indazol-3-yl)prop-2-enyl]carbamate
CID 169467636
tert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate
CID 169468647
tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467099
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzenesulfonic acid
CID 169468610
(E)-6-(2-methyl-1H-indol-3-yl)hex-5-enoic acid
CID 82293705
(E)-4-(2-methyl-1H-indol-3-yl)but-3-en-2-one
CID 960498
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
CID 169467818
tert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate
CID 169467729
tert-butyl N-[3-(2,4-dioxo-1H-3,1-benzoxazin-5-yl)prop-2-enyl]carbamate
CID 169468312

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-methyl-1H-indol-3-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-methyl-1H-indol-3-yl)prop-2-enyl]carbamate (CID 169468877) is tert-butyl N-[3-(2-methyl-1H-indol-3-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-methyl-1H-indol-3-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-methyl-1H-indol-3-yl)prop-2-enyl]carbamate is Cc1[nH]c2ccccc2c1C=CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(2-methyl-1H-indol-3-yl)prop-2-enyl]carbamate?
The InChIKey is CWNZYOWFBPXNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-13(14-8-5-6-10-15(14)19-12)9-7-11-18-16(20)21-17(2,3)4/h5-10,19H,11H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[3-(2-methyl-1H-indol-3-yl)prop-2-enyl]carbamate?
tert-butyl N-[3-(2-methyl-1H-indol-3-yl)prop-2-enyl]carbamate has a molecular weight of 286.38 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-methyl-1H-indol-3-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169468877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).