4-[[[(Z)-but-2-enyl]-methylamino]methyl]-5-methyl-1,3-dioxol-2-one

C10H15NO3 — CID 159796426

IUPAC4-[[[(Z)-but-2-enyl]-methylamino]methyl]-5-methyl-1,3-dioxol-2-one
SMILESC/C=C\CN(C)Cc1oc(=O)oc1C
InChIInChI=1S/C10H15NO3/c1-4-5-6-11(3)7-9-8(2)13-10(12)14-9/h4-5H,6-7H2,1-3H3/b5-4-
InChIKeyNJFPYUBYVAJOOF-PLNGDYQASA-N
MW197.23 g/mol
LogP1.55
Rot. Bonds4

About 4-[[[(Z)-but-2-enyl]-methylamino]methyl]-5-methyl-1,3-dioxol-2-one

4-[[[(Z)-but-2-enyl]-methylamino]methyl]-5-methyl-1,3-dioxol-2-one (PubChem CID 159796426) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-[[[(Z)-but-2-enyl]-methylamino]methyl]-5-methyl-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-[[[(Z)-but-2-enyl]-methylamino]methyl]-5-methyl-1,3-dioxol-2-one
PubChem CID159796426
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-[[[(Z)-but-2-enyl]-methylamino]methyl]-5-methyl-1,3-dioxol-2-one
SMILESC/C=C\CN(C)Cc1oc(=O)oc1C
InChIInChI=1S/C10H15NO3/c1-4-5-6-11(3)7-9-8(2)13-10(12)14-9/h4-5H,6-7H2,1-3H3/b5-4-
InChIKeyNJFPYUBYVAJOOF-PLNGDYQASA-N
XLogP1.55
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(Z)-but-2-enyl]-methylamino]methyl]-5-methyl-1,3-dioxol-2-one?
The IUPAC name of 4-[[[(Z)-but-2-enyl]-methylamino]methyl]-5-methyl-1,3-dioxol-2-one (CID 159796426) is 4-[[[(Z)-but-2-enyl]-methylamino]methyl]-5-methyl-1,3-dioxol-2-one.
What is the SMILES notation for 4-[[[(Z)-but-2-enyl]-methylamino]methyl]-5-methyl-1,3-dioxol-2-one?
The canonical SMILES for 4-[[[(Z)-but-2-enyl]-methylamino]methyl]-5-methyl-1,3-dioxol-2-one is C/C=C\CN(C)Cc1oc(=O)oc1C.
What is the InChIKey of 4-[[[(Z)-but-2-enyl]-methylamino]methyl]-5-methyl-1,3-dioxol-2-one?
The InChIKey is NJFPYUBYVAJOOF-PLNGDYQASA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-5-6-11(3)7-9-8(2)13-10(12)14-9/h4-5H,6-7H2,1-3H3/b5-4-.
What are the key properties of 4-[[[(Z)-but-2-enyl]-methylamino]methyl]-5-methyl-1,3-dioxol-2-one?
4-[[[(Z)-but-2-enyl]-methylamino]methyl]-5-methyl-1,3-dioxol-2-one has a molecular weight of 197.23 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(Z)-but-2-enyl]-methylamino]methyl]-5-methyl-1,3-dioxol-2-one is sourced from PubChem (CID 159796426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).