N,N-dimethylformamide;4-ethyl-1,3-dioxolan-2-one

C8H15NO4 — CID 174867976

IUPACN,N-dimethylformamide;4-ethyl-1,3-dioxolan-2-one
SMILESCCC1COC(=O)O1.CN(C)C=O
InChIInChI=1S/C5H8O3.C3H7NO/c1-2-4-3-7-5(6)8-4;1-4(2)3-5/h4H,2-3H2,1H3;3H,1-2H3
InChIKeyGRTNEYVEBSIJPM-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.64
Rot. Bonds2

About N,N-dimethylformamide;4-ethyl-1,3-dioxolan-2-one

N,N-dimethylformamide;4-ethyl-1,3-dioxolan-2-one (PubChem CID 174867976) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is N,N-dimethylformamide;4-ethyl-1,3-dioxolan-2-one.

Molecular Properties

Compound NameN,N-dimethylformamide;4-ethyl-1,3-dioxolan-2-one
PubChem CID174867976
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC NameN,N-dimethylformamide;4-ethyl-1,3-dioxolan-2-one
SMILESCCC1COC(=O)O1.CN(C)C=O
InChIInChI=1S/C5H8O3.C3H7NO/c1-2-4-3-7-5(6)8-4;1-4(2)3-5/h4H,2-3H2,1H3;3H,1-2H3
InChIKeyGRTNEYVEBSIJPM-UHFFFAOYSA-N
XLogP0.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
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 N,N-dimethylformamide;4-ethyl-1,3-dioxolan-2-one?
The IUPAC name of N,N-dimethylformamide;4-ethyl-1,3-dioxolan-2-one (CID 174867976) is N,N-dimethylformamide;4-ethyl-1,3-dioxolan-2-one.
What is the SMILES notation for N,N-dimethylformamide;4-ethyl-1,3-dioxolan-2-one?
The canonical SMILES for N,N-dimethylformamide;4-ethyl-1,3-dioxolan-2-one is CCC1COC(=O)O1.CN(C)C=O.
What is the InChIKey of N,N-dimethylformamide;4-ethyl-1,3-dioxolan-2-one?
The InChIKey is GRTNEYVEBSIJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C3H7NO/c1-2-4-3-7-5(6)8-4;1-4(2)3-5/h4H,2-3H2,1H3;3H,1-2H3.
What are the key properties of N,N-dimethylformamide;4-ethyl-1,3-dioxolan-2-one?
N,N-dimethylformamide;4-ethyl-1,3-dioxolan-2-one has a molecular weight of 189.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;4-ethyl-1,3-dioxolan-2-one is sourced from PubChem (CID 174867976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).