(5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl N-methyl-N-prop-2-enoylcarbamate

C12H17NO6 — CID 166063146

IUPAC(5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl N-methyl-N-prop-2-enoylcarbamate
SMILESC=CC(=O)N(C)C(=O)OCC1(CC)COC(=O)OC1
InChIInChI=1S/C12H17NO6/c1-4-9(14)13(3)10(15)17-6-12(5-2)7-18-11(16)19-8-12/h4H,1,5-8H2,2-3H3
InChIKeyKQJWMNAMDYSBGK-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.33
Rot. Bonds4

About (5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl N-methyl-N-prop-2-enoylcarbamate

(5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl N-methyl-N-prop-2-enoylcarbamate (PubChem CID 166063146) has the molecular formula C12H17NO6 and a molecular weight of 271.27 g/mol. Its IUPAC name is (5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl N-methyl-N-prop-2-enoylcarbamate.

Molecular Properties

Compound Name(5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl N-methyl-N-prop-2-enoylcarbamate
PubChem CID166063146
Molecular FormulaC12H17NO6
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name(5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl N-methyl-N-prop-2-enoylcarbamate
SMILESC=CC(=O)N(C)C(=O)OCC1(CC)COC(=O)OC1
InChIInChI=1S/C12H17NO6/c1-4-9(14)13(3)10(15)17-6-12(5-2)7-18-11(16)19-8-12/h4H,1,5-8H2,2-3H3
InChIKeyKQJWMNAMDYSBGK-UHFFFAOYSA-N
XLogP1.33
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl (2,3,4,5,6-pentafluorophenyl) carbonate
CID 88887961
(5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl (E)-3-phenylprop-2-enoate
CID 25172089
(5-ethyl-2-oxo-1,3-dioxan-5-yl) prop-2-enyl carbonate
CID 122397635
(4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate
CID 70213115
5,5-bis(prop-2-enyl)-1,3-dioxan-2-one
CID 54525893
[3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate
CID 172769604
(5-ethyl-2-phenyl-1,3,2-dioxaborinan-5-yl)methyl prop-2-enoate
CID 153107264
2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-2-enoate
CID 139951419
(4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl prop-2-enoate
CID 11252619
[9-[12-[6,12-dioxo-3,3-bis(prop-2-enoyloxymethyl)-1,5-dioxa-9-azacyclododec-9-yl]dodecyl]-6,12-dioxo-3-(prop-2-enoyloxymethyl)-1,5-dioxa-9-azacyclododec-3-yl]methyl prop-2-enoate
CID 16748659
(3-ethyl-9-methyl-6,12-dioxo-1,5-dioxa-9-azacyclododec-3-yl)methyl 3-aminopropanoate
CID 135231616
[5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl 2-methylprop-2-enoate
CID 139783066

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl N-methyl-N-prop-2-enoylcarbamate?
The IUPAC name of (5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl N-methyl-N-prop-2-enoylcarbamate (CID 166063146) is (5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl N-methyl-N-prop-2-enoylcarbamate.
What is the SMILES notation for (5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl N-methyl-N-prop-2-enoylcarbamate?
The canonical SMILES for (5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl N-methyl-N-prop-2-enoylcarbamate is C=CC(=O)N(C)C(=O)OCC1(CC)COC(=O)OC1.
What is the InChIKey of (5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl N-methyl-N-prop-2-enoylcarbamate?
The InChIKey is KQJWMNAMDYSBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6/c1-4-9(14)13(3)10(15)17-6-12(5-2)7-18-11(16)19-8-12/h4H,1,5-8H2,2-3H3.
What are the key properties of (5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl N-methyl-N-prop-2-enoylcarbamate?
(5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl N-methyl-N-prop-2-enoylcarbamate has a molecular weight of 271.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl N-methyl-N-prop-2-enoylcarbamate is sourced from PubChem (CID 166063146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).