N-ethyl-1,3-dioxole-4-carboxamide

C6H9NO3 — CID 54280660

IUPACN-ethyl-1,3-dioxole-4-carboxamide
SMILESCCNC(=O)C1=COCO1
InChIInChI=1S/C6H9NO3/c1-2-7-6(8)5-3-9-4-10-5/h3H,2,4H2,1H3,(H,7,8)
InChIKeyRQNYPQLZCPXHQA-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.03
Rot. Bonds2

About N-ethyl-1,3-dioxole-4-carboxamide

N-ethyl-1,3-dioxole-4-carboxamide (PubChem CID 54280660) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is N-ethyl-1,3-dioxole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1,3-dioxole-4-carboxamide
PubChem CID54280660
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC NameN-ethyl-1,3-dioxole-4-carboxamide
SMILESCCNC(=O)C1=COCO1
InChIInChI=1S/C6H9NO3/c1-2-7-6(8)5-3-9-4-10-5/h3H,2,4H2,1H3,(H,7,8)
InChIKeyRQNYPQLZCPXHQA-UHFFFAOYSA-N
XLogP-0.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,3-dioxole-4-carboxamide?
The IUPAC name of N-ethyl-1,3-dioxole-4-carboxamide (CID 54280660) is N-ethyl-1,3-dioxole-4-carboxamide.
What is the SMILES notation for N-ethyl-1,3-dioxole-4-carboxamide?
The canonical SMILES for N-ethyl-1,3-dioxole-4-carboxamide is CCNC(=O)C1=COCO1.
What is the InChIKey of N-ethyl-1,3-dioxole-4-carboxamide?
The InChIKey is RQNYPQLZCPXHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-7-6(8)5-3-9-4-10-5/h3H,2,4H2,1H3,(H,7,8).
What are the key properties of N-ethyl-1,3-dioxole-4-carboxamide?
N-ethyl-1,3-dioxole-4-carboxamide has a molecular weight of 143.14 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,3-dioxole-4-carboxamide is sourced from PubChem (CID 54280660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).