formamido 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate

C11H17NO5 — CID 87347032

IUPACformamido 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate
SMILESC=C(CC1COC(C)(CC)O1)C(=O)ONC=O
InChIInChI=1S/C11H17NO5/c1-4-11(3)15-6-9(16-11)5-8(2)10(14)17-12-7-13/h7,9H,2,4-6H2,1,3H3,(H,12,13)
InChIKeyWKZZJKVJCUALSX-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.68
Rot. Bonds6

About formamido 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate

formamido 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate (PubChem CID 87347032) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is formamido 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Nameformamido 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate
PubChem CID87347032
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Nameformamido 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate
SMILESC=C(CC1COC(C)(CC)O1)C(=O)ONC=O
InChIInChI=1S/C11H17NO5/c1-4-11(3)15-6-9(16-11)5-8(2)10(14)17-12-7-13/h7,9H,2,4-6H2,1,3H3,(H,12,13)
InChIKeyWKZZJKVJCUALSX-UHFFFAOYSA-N
XLogP0.68
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methylidenebutanoic acid
CID 90355809
2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 165341124
2,4-diethyl-2-methyl-1,3-dioxolane
CID 59435311
bis[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl] butanedioate
CID 139293602
methyl 2-ethyl-2-methyl-1,3-dioxolane-4-carboxylate
CID 175220005
methyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate
CID 117169751
2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid
CID 117169750
2-(oxiran-2-ylmethyl)prop-2-enoyl 2-methylbut-2-enoate
CID 173148627
2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane
CID 77335045
1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate
CID 67003798
diethyl (Z)-but-2-enedioate;methyl 2-(oxiran-2-ylmethyl)prop-2-enoate
CID 174899415
ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-oxopropanoate
CID 78099434

Frequently Asked Questions

What is the IUPAC name of formamido 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate?
The IUPAC name of formamido 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate (CID 87347032) is formamido 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate.
What is the SMILES notation for formamido 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate?
The canonical SMILES for formamido 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate is C=C(CC1COC(C)(CC)O1)C(=O)ONC=O.
What is the InChIKey of formamido 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate?
The InChIKey is WKZZJKVJCUALSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-4-11(3)15-6-9(16-11)5-8(2)10(14)17-12-7-13/h7,9H,2,4-6H2,1,3H3,(H,12,13).
What are the key properties of formamido 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate?
formamido 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate has a molecular weight of 243.26 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formamido 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate is sourced from PubChem (CID 87347032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).