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

C10H15NO4 — CID 63294016

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCC(O)C1CC1)C1=COCCO1
InChIInChI=1S/C10H15NO4/c12-8(7-1-2-7)5-11-10(13)9-6-14-3-4-15-9/h6-8,12H,1-5H2,(H,11,13)
InChIKeyVKIASBSIPXEWMP-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.24
Rot. Bonds4

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

N-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 63294016) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID63294016
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCC(O)C1CC1)C1=COCCO1
InChIInChI=1S/C10H15NO4/c12-8(7-1-2-7)5-11-10(13)9-6-14-3-4-15-9/h6-8,12H,1-5H2,(H,11,13)
InChIKeyVKIASBSIPXEWMP-UHFFFAOYSA-N
XLogP-0.24
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 63294016) is N-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NCC(O)C1CC1)C1=COCCO1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is VKIASBSIPXEWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-8(7-1-2-7)5-11-10(13)9-6-14-3-4-15-9/h6-8,12H,1-5H2,(H,11,13).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 213.23 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 63294016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).