5,6-bis(ethenyl)-2,3-dihydro-1,4-dioxine-2-carboxamide;ethane

C15H29NO3 — CID 142071064

IUPAC5,6-bis(ethenyl)-2,3-dihydro-1,4-dioxine-2-carboxamide;ethane
SMILESC=CC1=C(C=C)OC(C(N)=O)CO1.CC.CC.CC
InChIInChI=1S/C9H11NO3.3C2H6/c1-3-6-7(4-2)13-8(5-12-6)9(10)11;3*1-2/h3-4,8H,1-2,5H2,(H2,10,11);3*1-2H3
InChIKeyGQLFEKBHGJLXTR-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.55
Rot. Bonds3

About 5,6-bis(ethenyl)-2,3-dihydro-1,4-dioxine-2-carboxamide;ethane

5,6-bis(ethenyl)-2,3-dihydro-1,4-dioxine-2-carboxamide;ethane (PubChem CID 142071064) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-2,3-dihydro-1,4-dioxine-2-carboxamide;ethane.

Molecular Properties

Compound Name5,6-bis(ethenyl)-2,3-dihydro-1,4-dioxine-2-carboxamide;ethane
PubChem CID142071064
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name5,6-bis(ethenyl)-2,3-dihydro-1,4-dioxine-2-carboxamide;ethane
SMILESC=CC1=C(C=C)OC(C(N)=O)CO1.CC.CC.CC
InChIInChI=1S/C9H11NO3.3C2H6/c1-3-6-7(4-2)13-8(5-12-6)9(10)11;3*1-2/h3-4,8H,1-2,5H2,(H2,10,11);3*1-2H3
InChIKeyGQLFEKBHGJLXTR-UHFFFAOYSA-N
XLogP3.55
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-bis(ethenyl)-2-methyl-2,3-dihydro-1,4-dioxine
CID 142091973
5,6-bis(ethenyl)-2-(2-methylpropyl)-2,3-dihydro-1,4-dioxine
CID 156791644
1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane
CID 163241818
carbonic acid;oxirane-2-carboxamide
CID 87800333
5-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-6-ethenyl-2-methyl-2,3-dihydro-1,4-dioxine
CID 143496598
1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine
CID 142260505
4,5-bis(ethenyl)-2-methyl-2,3-dihydrofuran;ethane
CID 144691925
6,7-dimethyl-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 117059836
2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine
CID 156792165
6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one
CID 155711315
(2S)-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 129365095
pent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599610

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-2,3-dihydro-1,4-dioxine-2-carboxamide;ethane?
The IUPAC name of 5,6-bis(ethenyl)-2,3-dihydro-1,4-dioxine-2-carboxamide;ethane (CID 142071064) is 5,6-bis(ethenyl)-2,3-dihydro-1,4-dioxine-2-carboxamide;ethane.
What is the SMILES notation for 5,6-bis(ethenyl)-2,3-dihydro-1,4-dioxine-2-carboxamide;ethane?
The canonical SMILES for 5,6-bis(ethenyl)-2,3-dihydro-1,4-dioxine-2-carboxamide;ethane is C=CC1=C(C=C)OC(C(N)=O)CO1.CC.CC.CC.
What is the InChIKey of 5,6-bis(ethenyl)-2,3-dihydro-1,4-dioxine-2-carboxamide;ethane?
The InChIKey is GQLFEKBHGJLXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.3C2H6/c1-3-6-7(4-2)13-8(5-12-6)9(10)11;3*1-2/h3-4,8H,1-2,5H2,(H2,10,11);3*1-2H3.
What are the key properties of 5,6-bis(ethenyl)-2,3-dihydro-1,4-dioxine-2-carboxamide;ethane?
5,6-bis(ethenyl)-2,3-dihydro-1,4-dioxine-2-carboxamide;ethane has a molecular weight of 271.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-2,3-dihydro-1,4-dioxine-2-carboxamide;ethane is sourced from PubChem (CID 142071064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).