N-cyclopropyl-2,3-dihydro-1,4-dioxine-5-carboxamide

C8H11NO3 — CID 2359181

IUPACN-cyclopropyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NC1CC1)C1=COCCO1
InChIInChI=1S/C8H11NO3/c10-8(9-6-1-2-6)7-5-11-3-4-12-7/h5-6H,1-4H2,(H,9,10)
InChIKeyGEFXCWOSHWXWKK-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.15
Rot. Bonds2

About N-cyclopropyl-2,3-dihydro-1,4-dioxine-5-carboxamide

N-cyclopropyl-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 2359181) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-cyclopropyl-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID2359181
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC NameN-cyclopropyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NC1CC1)C1=COCCO1
InChIInChI=1S/C8H11NO3/c10-8(9-6-1-2-6)7-5-11-3-4-12-7/h5-6H,1-4H2,(H,9,10)
InChIKeyGEFXCWOSHWXWKK-UHFFFAOYSA-N
XLogP0.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-2,3-dihydro-1,4-dioxine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-cyclopropyl-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 2359181) is N-cyclopropyl-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NC1CC1)C1=COCCO1.
What is the InChIKey of N-cyclopropyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is GEFXCWOSHWXWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-8(9-6-1-2-6)7-5-11-3-4-12-7/h5-6H,1-4H2,(H,9,10).
What are the key properties of N-cyclopropyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-cyclopropyl-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 169.18 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 2359181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).