formamide;4-methyl-1,3-dioxolan-2-one

C5H9NO4 — CID 157162326

IUPACformamide;4-methyl-1,3-dioxolan-2-one
SMILESCC1COC(=O)O1.NC=O
InChIInChI=1S/C4H6O3.CH3NO/c1-3-2-6-4(5)7-3;2-1-3/h3H,2H2,1H3;1H,(H2,2,3)
InChIKeyAMNDOTNHMJUZDI-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.36
Rot. Bonds

About formamide;4-methyl-1,3-dioxolan-2-one

formamide;4-methyl-1,3-dioxolan-2-one (PubChem CID 157162326) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is formamide;4-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Nameformamide;4-methyl-1,3-dioxolan-2-one
PubChem CID157162326
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Nameformamide;4-methyl-1,3-dioxolan-2-one
SMILESCC1COC(=O)O1.NC=O
InChIInChI=1S/C4H6O3.CH3NO/c1-3-2-6-4(5)7-3;2-1-3/h3H,2H2,1H3;1H,(H2,2,3)
InChIKeyAMNDOTNHMJUZDI-UHFFFAOYSA-N
XLogP-0.36
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formamide;4-methyl-1,3-dioxolan-2-one?
The IUPAC name of formamide;4-methyl-1,3-dioxolan-2-one (CID 157162326) is formamide;4-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for formamide;4-methyl-1,3-dioxolan-2-one?
The canonical SMILES for formamide;4-methyl-1,3-dioxolan-2-one is CC1COC(=O)O1.NC=O.
What is the InChIKey of formamide;4-methyl-1,3-dioxolan-2-one?
The InChIKey is AMNDOTNHMJUZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.CH3NO/c1-3-2-6-4(5)7-3;2-1-3/h3H,2H2,1H3;1H,(H2,2,3).
What are the key properties of formamide;4-methyl-1,3-dioxolan-2-one?
formamide;4-methyl-1,3-dioxolan-2-one has a molecular weight of 147.13 g/mol, XLogP of -0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;4-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 157162326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).