[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,4-oxazepan-2-yl)methanone

C15H22N2O2 — CID 163402216

IUPAC[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,4-oxazepan-2-yl)methanone
SMILESC=CC1=C(C=C)CN(C(=O)C2CNCCCO2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-12-6-8-17(11-13(12)4-2)15(18)14-10-16-7-5-9-19-14/h3-4,14,16H,1-2,5-11H2
InChIKeyWSLWKMBBIYIQQO-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.27
Rot. Bonds3

About [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,4-oxazepan-2-yl)methanone

[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,4-oxazepan-2-yl)methanone (PubChem CID 163402216) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,4-oxazepan-2-yl)methanone.

Molecular Properties

Compound Name[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,4-oxazepan-2-yl)methanone
PubChem CID163402216
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,4-oxazepan-2-yl)methanone
SMILESC=CC1=C(C=C)CN(C(=O)C2CNCCCO2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-12-6-8-17(11-13(12)4-2)15(18)14-10-16-7-5-9-19-14/h3-4,14,16H,1-2,5-11H2
InChIKeyWSLWKMBBIYIQQO-UHFFFAOYSA-N
XLogP1.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,4-oxazepan-2-yl)methanone with MolForge

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Related Compounds

morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
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[(3S)-3-hydroxypiperidin-1-yl]-morpholin-2-ylmethanone
CID 107222846
(1,1-dioxo-1,4-thiazepan-4-yl)-morpholin-2-ylmethanone
CID 113266787
3-azaspiro[5.5]undecan-3-yl(morpholin-2-yl)methanone;hydrochloride
CID 119768999
morpholin-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119842984
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119747817
[(2R)-morpholin-2-yl]-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone
CID 95727153
1-(oxolane-2-carbonyl)-1,4-diazepan-5-one
CID 60707955
4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-2-one
CID 103872787
[1-(morpholine-2-carbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride
CID 119699768
[4-(furan-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119673067

Frequently Asked Questions

What is the IUPAC name of [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,4-oxazepan-2-yl)methanone?
The IUPAC name of [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,4-oxazepan-2-yl)methanone (CID 163402216) is [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,4-oxazepan-2-yl)methanone.
What is the SMILES notation for [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,4-oxazepan-2-yl)methanone?
The canonical SMILES for [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,4-oxazepan-2-yl)methanone is C=CC1=C(C=C)CN(C(=O)C2CNCCCO2)CC1.
What is the InChIKey of [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,4-oxazepan-2-yl)methanone?
The InChIKey is WSLWKMBBIYIQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-12-6-8-17(11-13(12)4-2)15(18)14-10-16-7-5-9-19-14/h3-4,14,16H,1-2,5-11H2.
What are the key properties of [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,4-oxazepan-2-yl)methanone?
[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,4-oxazepan-2-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.27, 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)-3,6-dihydro-2H-pyridin-1-yl]-(1,4-oxazepan-2-yl)methanone is sourced from PubChem (CID 163402216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).