methyl N-[(E)-2-pyridin-3-ylethenyl]carbamate

C9H10N2O2 — CID 22096594

IUPACmethyl N-[(E)-2-pyridin-3-ylethenyl]carbamate
SMILESCOC(=O)N/C=C/c1cccnc1
InChIInChI=1S/C9H10N2O2/c1-13-9(12)11-6-4-8-3-2-5-10-7-8/h2-7H,1H3,(H,11,12)/b6-4+
InChIKeyKZRXHUUIJPSDCT-GQCTYLIASA-N
MW178.19 g/mol
LogP1.41
Rot. Bonds2

About methyl N-[(E)-2-pyridin-3-ylethenyl]carbamate

methyl N-[(E)-2-pyridin-3-ylethenyl]carbamate (PubChem CID 22096594) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is methyl N-[(E)-2-pyridin-3-ylethenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-2-pyridin-3-ylethenyl]carbamate
PubChem CID22096594
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Namemethyl N-[(E)-2-pyridin-3-ylethenyl]carbamate
SMILESCOC(=O)N/C=C/c1cccnc1
InChIInChI=1S/C9H10N2O2/c1-13-9(12)11-6-4-8-3-2-5-10-7-8/h2-7H,1H3,(H,11,12)/b6-4+
InChIKeyKZRXHUUIJPSDCT-GQCTYLIASA-N
XLogP1.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(Z)-2-[4-[(Z)-2-(methoxycarbonylamino)ethenyl]phenyl]ethenyl]carbamate
CID 51521239
methyl (E)-4-pyridin-3-ylbut-3-enoate
CID 11513847
cis-(1R,3S)-3-(methylamino)-N-[(E)-2-pyridin-3-ylethenyl]cyclopentane-1-carboxamide
CID 178174490
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
methyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetate
CID 43423203
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
ethane;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465034
(Z)-2-methoxy-3-pyridin-3-ylprop-2-enal
CID 102492010
methanethiol;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465005
sodium (E)-3-pyridin-3-ylprop-2-enoate
CID 23685130
tert-butyl 2-oxo-4-pyridin-3-ylbut-3-enoate
CID 54388748
2,3,5,6-tetrakis[(E)-2-pyridin-3-ylethenyl]pyrazine
CID 19937846

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-2-pyridin-3-ylethenyl]carbamate?
The IUPAC name of methyl N-[(E)-2-pyridin-3-ylethenyl]carbamate (CID 22096594) is methyl N-[(E)-2-pyridin-3-ylethenyl]carbamate.
What is the SMILES notation for methyl N-[(E)-2-pyridin-3-ylethenyl]carbamate?
The canonical SMILES for methyl N-[(E)-2-pyridin-3-ylethenyl]carbamate is COC(=O)N/C=C/c1cccnc1.
What is the InChIKey of methyl N-[(E)-2-pyridin-3-ylethenyl]carbamate?
The InChIKey is KZRXHUUIJPSDCT-GQCTYLIASA-N. The full InChI is InChI=1S/C9H10N2O2/c1-13-9(12)11-6-4-8-3-2-5-10-7-8/h2-7H,1H3,(H,11,12)/b6-4+.
What are the key properties of methyl N-[(E)-2-pyridin-3-ylethenyl]carbamate?
methyl N-[(E)-2-pyridin-3-ylethenyl]carbamate has a molecular weight of 178.19 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-2-pyridin-3-ylethenyl]carbamate is sourced from PubChem (CID 22096594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).