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

C15H19N3O2 — CID 169467636

IUPACtert-butyl N-[3-(2H-indazol-3-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1[nH]nc2ccccc12
InChIInChI=1S/C15H19N3O2/c1-15(2,3)20-14(19)16-10-6-9-13-11-7-4-5-8-12(11)17-18-13/h4-9H,10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyNFWGHGROVCOONY-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.10
Rot. Bonds3

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

tert-butyl N-[3-(2H-indazol-3-yl)prop-2-enyl]carbamate (PubChem CID 169467636) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is tert-butyl N-[3-(2H-indazol-3-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2H-indazol-3-yl)prop-2-enyl]carbamate
PubChem CID169467636
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nametert-butyl N-[3-(2H-indazol-3-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1[nH]nc2ccccc12
InChIInChI=1S/C15H19N3O2/c1-15(2,3)20-14(19)16-10-6-9-13-11-7-4-5-8-12(11)17-18-13/h4-9H,10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyNFWGHGROVCOONY-UHFFFAOYSA-N
XLogP3.10
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(3-methyl-2H-indazol-6-yl)prop-2-enyl]carbamate
CID 169467677
tert-butyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate
CID 170832275
tert-butyl N-[3-(10-chloroanthracen-9-yl)prop-2-enyl]carbamate
CID 169468652
tert-butyl N-[3-(2-methyl-1H-indol-3-yl)prop-2-enyl]carbamate
CID 169468877
tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467099
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]-1H-indole-2-carboxylic acid
CID 169468300
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
tert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate
CID 169468647
tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467097
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzenesulfonic acid
CID 169468610
tert-butyl N-[4-(acridin-9-ylamino)butyl]carbamate
CID 11291507
methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate
CID 169468759

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2H-indazol-3-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2H-indazol-3-yl)prop-2-enyl]carbamate (CID 169467636) is tert-butyl N-[3-(2H-indazol-3-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2H-indazol-3-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2H-indazol-3-yl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1[nH]nc2ccccc12.
What is the InChIKey of tert-butyl N-[3-(2H-indazol-3-yl)prop-2-enyl]carbamate?
The InChIKey is NFWGHGROVCOONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,3)20-14(19)16-10-6-9-13-11-7-4-5-8-12(11)17-18-13/h4-9H,10H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of tert-butyl N-[3-(2H-indazol-3-yl)prop-2-enyl]carbamate?
tert-butyl N-[3-(2H-indazol-3-yl)prop-2-enyl]carbamate has a molecular weight of 273.34 g/mol, XLogP of 3.10, 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-(2H-indazol-3-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).