benzyl N-[3-(3-oxo-1H-2-benzofuran-5-yl)prop-2-enyl]carbamate

C19H17NO4 — CID 169471776

IUPACbenzyl N-[3-(3-oxo-1H-2-benzofuran-5-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc2c(c1)C(=O)OC2)OCc1ccccc1
InChIInChI=1S/C19H17NO4/c21-18-17-11-14(8-9-16(17)13-23-18)7-4-10-20-19(22)24-12-15-5-2-1-3-6-15/h1-9,11H,10,12-13H2,(H,20,22)
InChIKeyIAGDAKZXQGLFCS-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.30
Rot. Bonds5

About benzyl N-[3-(3-oxo-1H-2-benzofuran-5-yl)prop-2-enyl]carbamate

benzyl N-[3-(3-oxo-1H-2-benzofuran-5-yl)prop-2-enyl]carbamate (PubChem CID 169471776) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is benzyl N-[3-(3-oxo-1H-2-benzofuran-5-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3-oxo-1H-2-benzofuran-5-yl)prop-2-enyl]carbamate
PubChem CID169471776
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namebenzyl N-[3-(3-oxo-1H-2-benzofuran-5-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc2c(c1)C(=O)OC2)OCc1ccccc1
InChIInChI=1S/C19H17NO4/c21-18-17-11-14(8-9-16(17)13-23-18)7-4-10-20-19(22)24-12-15-5-2-1-3-6-15/h1-9,11H,10,12-13H2,(H,20,22)
InChIKeyIAGDAKZXQGLFCS-UHFFFAOYSA-N
XLogP3.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]carbamate
CID 169472370
6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]naphthalene-2-carboxylic acid
CID 169472555
benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate
CID 169472386
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-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471444
benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169471167
benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate
CID 169471327
benzyl N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169472106
benzyl N-[3-(3-cyano-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169471696
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
CID 169470986
benzyl N-[3-(4-amino-3-nitrophenyl)prop-2-enyl]carbamate
CID 169471978

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3-oxo-1H-2-benzofuran-5-yl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(3-oxo-1H-2-benzofuran-5-yl)prop-2-enyl]carbamate (CID 169471776) is benzyl N-[3-(3-oxo-1H-2-benzofuran-5-yl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3-oxo-1H-2-benzofuran-5-yl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(3-oxo-1H-2-benzofuran-5-yl)prop-2-enyl]carbamate is O=C(NCC=Cc1ccc2c(c1)C(=O)OC2)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(3-oxo-1H-2-benzofuran-5-yl)prop-2-enyl]carbamate?
The InChIKey is IAGDAKZXQGLFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-18-17-11-14(8-9-16(17)13-23-18)7-4-10-20-19(22)24-12-15-5-2-1-3-6-15/h1-9,11H,10,12-13H2,(H,20,22).
What are the key properties of benzyl N-[3-(3-oxo-1H-2-benzofuran-5-yl)prop-2-enyl]carbamate?
benzyl N-[3-(3-oxo-1H-2-benzofuran-5-yl)prop-2-enyl]carbamate has a molecular weight of 323.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(3-oxo-1H-2-benzofuran-5-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169471776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).