N,N-dimethylacetamide;1,3-dioxolan-2-one

C7H13NO4 — CID 158215912

IUPACN,N-dimethylacetamide;1,3-dioxolan-2-one
SMILESCC(=O)N(C)C.O=C1OCCO1
InChIInChI=1S/C4H9NO.C3H4O3/c1-4(6)5(2)3;4-3-5-1-2-6-3/h1-3H3;1-2H2
InChIKeyGCQHVBUHJOHWQY-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.25
Rot. Bonds

About N,N-dimethylacetamide;1,3-dioxolan-2-one

N,N-dimethylacetamide;1,3-dioxolan-2-one (PubChem CID 158215912) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is N,N-dimethylacetamide;1,3-dioxolan-2-one.

Molecular Properties

Compound NameN,N-dimethylacetamide;1,3-dioxolan-2-one
PubChem CID158215912
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC NameN,N-dimethylacetamide;1,3-dioxolan-2-one
SMILESCC(=O)N(C)C.O=C1OCCO1
InChIInChI=1S/C4H9NO.C3H4O3/c1-4(6)5(2)3;4-3-5-1-2-6-3/h1-3H3;1-2H2
InChIKeyGCQHVBUHJOHWQY-UHFFFAOYSA-N
XLogP0.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylacetamide;1,3-dioxolan-2-one?
The IUPAC name of N,N-dimethylacetamide;1,3-dioxolan-2-one (CID 158215912) is N,N-dimethylacetamide;1,3-dioxolan-2-one.
What is the SMILES notation for N,N-dimethylacetamide;1,3-dioxolan-2-one?
The canonical SMILES for N,N-dimethylacetamide;1,3-dioxolan-2-one is CC(=O)N(C)C.O=C1OCCO1.
What is the InChIKey of N,N-dimethylacetamide;1,3-dioxolan-2-one?
The InChIKey is GCQHVBUHJOHWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C3H4O3/c1-4(6)5(2)3;4-3-5-1-2-6-3/h1-3H3;1-2H2.
What are the key properties of N,N-dimethylacetamide;1,3-dioxolan-2-one?
N,N-dimethylacetamide;1,3-dioxolan-2-one has a molecular weight of 175.18 g/mol, XLogP of 0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylacetamide;1,3-dioxolan-2-one is sourced from PubChem (CID 158215912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).