[4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]-morpholin-4-ylmethanone

C14H20N2O2 — CID 145010495

IUPAC[4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]-morpholin-4-ylmethanone
SMILESC=CC1=C(C=C)CC(C(=O)N2CCOCC2)NC1
InChIInChI=1S/C14H20N2O2/c1-3-11-9-13(15-10-12(11)4-2)14(17)16-5-7-18-8-6-16/h3-4,13,15H,1-2,5-10H2
InChIKeyIEEIGDMCKGKMIE-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.88
Rot. Bonds3

About [4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]-morpholin-4-ylmethanone

[4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 145010495) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID145010495
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]-morpholin-4-ylmethanone
SMILESC=CC1=C(C=C)CC(C(=O)N2CCOCC2)NC1
InChIInChI=1S/C14H20N2O2/c1-3-11-9-13(15-10-12(11)4-2)14(17)16-5-7-18-8-6-16/h3-4,13,15H,1-2,5-10H2
InChIKeyIEEIGDMCKGKMIE-UHFFFAOYSA-N
XLogP0.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone
CID 97336858
(5Z,8Z,17Z)-N-(3-amino-2-morpholin-4-yl-3-oxopropyl)icosa-5,8,11,14,17-pentaenamide
CID 68282744
2-amino-3-cyclohexa-1,5-dien-1-yl-N-(2-morpholin-4-ylethyl)propanamide
CID 70845444
(5Z,8Z,11Z,14Z,17Z)-N-(3-amino-2-morpholin-4-yl-3-oxopropyl)icosa-5,8,11,14,17-pentaenamide
CID 89700573
2-morpholin-4-yl-2-(2-oxo-1H-pyridin-4-yl)acetamide
CID 90219795
2-amino-3-methyl-N-(6-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pentanamide
CID 90968486
4-Methyl-2-(methylamino)-1-morpholin-4-ylpent-4-en-1-one
CID 123810145
2-acetamido-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-methoxypropanamide
CID 123897249
3-(Cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione
CID 142164220
3-(Cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione;molecular hydrogen
CID 142164438
(5-Aminocyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone
CID 143493354
2-amino-3-cyclohexa-1,3-dien-1-yl-N-(2-morpholin-4-ylethyl)propanamide
CID 144050340

Frequently Asked Questions

What is the IUPAC name of [4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]-morpholin-4-ylmethanone (CID 145010495) is [4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]-morpholin-4-ylmethanone is C=CC1=C(C=C)CC(C(=O)N2CCOCC2)NC1.
What is the InChIKey of [4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is IEEIGDMCKGKMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-11-9-13(15-10-12(11)4-2)14(17)16-5-7-18-8-6-16/h3-4,13,15H,1-2,5-10H2.
What are the key properties of [4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]-morpholin-4-ylmethanone?
[4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 248.33 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 145010495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).