tert-butyl N-[3-(3-methyl-2H-indazol-6-yl)prop-2-enyl]carbamate

C16H21N3O2 — CID 169467677

IUPACtert-butyl N-[3-(3-methyl-2H-indazol-6-yl)prop-2-enyl]carbamate
SMILESCc1[nH]nc2cc(C=CCNC(=O)OC(C)(C)C)ccc12
InChIInChI=1S/C16H21N3O2/c1-11-13-8-7-12(10-14(13)19-18-11)6-5-9-17-15(20)21-16(2,3)4/h5-8,10H,9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyLIXYBPMPQVXSID-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.41
Rot. Bonds3

About tert-butyl N-[3-(3-methyl-2H-indazol-6-yl)prop-2-enyl]carbamate

tert-butyl N-[3-(3-methyl-2H-indazol-6-yl)prop-2-enyl]carbamate (PubChem CID 169467677) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is tert-butyl N-[3-(3-methyl-2H-indazol-6-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-methyl-2H-indazol-6-yl)prop-2-enyl]carbamate
PubChem CID169467677
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Nametert-butyl N-[3-(3-methyl-2H-indazol-6-yl)prop-2-enyl]carbamate
SMILESCc1[nH]nc2cc(C=CCNC(=O)OC(C)(C)C)ccc12
InChIInChI=1S/C16H21N3O2/c1-11-13-8-7-12(10-14(13)19-18-11)6-5-9-17-15(20)21-16(2,3)4/h5-8,10H,9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyLIXYBPMPQVXSID-UHFFFAOYSA-N
XLogP3.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(2H-indazol-3-yl)prop-2-enyl]carbamate
CID 169467636
tert-butyl N-[3-(3-methyl-2H-indazol-6-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate
CID 170809776
tert-butyl N-(3-methyl-2H-indazol-6-yl)carbamate
CID 57295675
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
tert-butyl N-[3-[3-(hydroxymethyl)-4-methylphenyl]prop-2-enyl]carbamate
CID 169467416
tert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate
CID 169467402
tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169467599
5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]-1H-indole-3-carboxylic acid
CID 169468298
tert-butyl N-[3-(4-amino-3-chlorophenyl)prop-2-enyl]carbamate
CID 169467176
tert-butyl N-[3-(3-bromo-4-chlorophenyl)prop-2-enyl]carbamate
CID 169468558
tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467097
(E)-3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]prop-2-enoic acid
CID 169468034

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-methyl-2H-indazol-6-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-methyl-2H-indazol-6-yl)prop-2-enyl]carbamate (CID 169467677) is tert-butyl N-[3-(3-methyl-2H-indazol-6-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-methyl-2H-indazol-6-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-methyl-2H-indazol-6-yl)prop-2-enyl]carbamate is Cc1[nH]nc2cc(C=CCNC(=O)OC(C)(C)C)ccc12.
What is the InChIKey of tert-butyl N-[3-(3-methyl-2H-indazol-6-yl)prop-2-enyl]carbamate?
The InChIKey is LIXYBPMPQVXSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-13-8-7-12(10-14(13)19-18-11)6-5-9-17-15(20)21-16(2,3)4/h5-8,10H,9H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of tert-butyl N-[3-(3-methyl-2H-indazol-6-yl)prop-2-enyl]carbamate?
tert-butyl N-[3-(3-methyl-2H-indazol-6-yl)prop-2-enyl]carbamate has a molecular weight of 287.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-methyl-2H-indazol-6-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).