benzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate

C19H19N3O2 — CID 169471789

IUPACbenzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate
SMILESCn1ncc2ccc(C=CCNC(=O)OCc3ccccc3)cc21
InChIInChI=1S/C19H19N3O2/c1-22-18-12-15(9-10-17(18)13-21-22)8-5-11-20-19(23)24-14-16-6-3-2-4-7-16/h2-10,12-13H,11,14H2,1H3,(H,20,23)
InChIKeyDIKWYAGBBNTIEG-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.51
Rot. Bonds5

About benzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate

benzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate (PubChem CID 169471789) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is benzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate
PubChem CID169471789
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Namebenzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate
SMILESCn1ncc2ccc(C=CCNC(=O)OCc3ccccc3)cc21
InChIInChI=1S/C19H19N3O2/c1-22-18-12-15(9-10-17(18)13-21-22)8-5-11-20-19(23)24-14-16-6-3-2-4-7-16/h2-10,12-13H,11,14H2,1H3,(H,20,23)
InChIKeyDIKWYAGBBNTIEG-UHFFFAOYSA-N
XLogP3.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]naphthalene-2-carboxylic acid
CID 169472555
benzyl N-[3-(3-chloroquinoxalin-6-yl)prop-2-enyl]carbamate
CID 169472338
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
CID 169470986
benzyl N-[3-[1-(3-chlorophenyl)pyrazol-4-yl]prop-2-enyl]carbamate
CID 169472960
benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate
CID 169472386
benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate
CID 169471327
methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]pyridine-2-carboxylate
CID 169472039
benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate
CID 169471136
benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471202
benzyl N-[3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]prop-2-enyl]carbamate
CID 169472561
benzyl N-[3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169472456
(2S)-2-[4-[3-(phenylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid
CID 169471962

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate (CID 169471789) is benzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate is Cn1ncc2ccc(C=CCNC(=O)OCc3ccccc3)cc21.
What is the InChIKey of benzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate?
The InChIKey is DIKWYAGBBNTIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-22-18-12-15(9-10-17(18)13-21-22)8-5-11-20-19(23)24-14-16-6-3-2-4-7-16/h2-10,12-13H,11,14H2,1H3,(H,20,23).
What are the key properties of benzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate?
benzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate has a molecular weight of 321.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169471789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).