benzyl N-(1-pyridin-3-ylethenyl)carbamate

C15H14N2O2 — CID 11851043

IUPACbenzyl N-(1-pyridin-3-ylethenyl)carbamate
SMILESC=C(NC(=O)OCc1ccccc1)c1cccnc1
InChIInChI=1S/C15H14N2O2/c1-12(14-8-5-9-16-10-14)17-15(18)19-11-13-6-3-2-4-7-13/h2-10H,1,11H2,(H,17,18)
InChIKeyFSQKYUFSCVMUQT-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.98
Rot. Bonds4

About benzyl N-(1-pyridin-3-ylethenyl)carbamate

benzyl N-(1-pyridin-3-ylethenyl)carbamate (PubChem CID 11851043) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is benzyl N-(1-pyridin-3-ylethenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-pyridin-3-ylethenyl)carbamate
PubChem CID11851043
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Namebenzyl N-(1-pyridin-3-ylethenyl)carbamate
SMILESC=C(NC(=O)OCc1ccccc1)c1cccnc1
InChIInChI=1S/C15H14N2O2/c1-12(14-8-5-9-16-10-14)17-15(18)19-11-13-6-3-2-4-7-13/h2-10H,1,11H2,(H,17,18)
InChIKeyFSQKYUFSCVMUQT-UHFFFAOYSA-N
XLogP2.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate
CID 156757915
benzyl N-(2-phenylprop-2-enoyl)carbamate
CID 139252880
2-(phenylmethoxycarbonylamino)prop-2-enoic acid
CID 4674477
benzyl N-(2-methylprop-2-enoyl)carbamate
CID 11321946
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
(4-phenylphenyl)methyl pyridine-3-carboxylate
CID 9414004
benzyl N-[(2S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]butan-2-yl]carbamate
CID 35149040
benzyl pyridine-3-carboxylate;2-hydroxybenzoic acid
CID 162157539
benzyl N-(4-pyridin-3-ylbut-3-ynyl)carbamate
CID 170461928
(2S)-6-(phenylmethoxycarbonylamino)-2-(pyridine-3-carbonylamino)hexanoic acid
CID 44586529
benzyl N-[(2S)-5-amino-1,5-dioxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]carbamate
CID 18229677
benzyl N-[3-(methylamino)-3-oxoprop-1-en-2-yl]carbamate
CID 131853224

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-pyridin-3-ylethenyl)carbamate?
The IUPAC name of benzyl N-(1-pyridin-3-ylethenyl)carbamate (CID 11851043) is benzyl N-(1-pyridin-3-ylethenyl)carbamate.
What is the SMILES notation for benzyl N-(1-pyridin-3-ylethenyl)carbamate?
The canonical SMILES for benzyl N-(1-pyridin-3-ylethenyl)carbamate is C=C(NC(=O)OCc1ccccc1)c1cccnc1.
What is the InChIKey of benzyl N-(1-pyridin-3-ylethenyl)carbamate?
The InChIKey is FSQKYUFSCVMUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-12(14-8-5-9-16-10-14)17-15(18)19-11-13-6-3-2-4-7-13/h2-10H,1,11H2,(H,17,18).
What are the key properties of benzyl N-(1-pyridin-3-ylethenyl)carbamate?
benzyl N-(1-pyridin-3-ylethenyl)carbamate has a molecular weight of 254.29 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-pyridin-3-ylethenyl)carbamate is sourced from PubChem (CID 11851043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).