N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C10H13NO5 — CID 13088123

IUPACN-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCC1=COCCO1)C1=COCCO1
InChIInChI=1S/C10H13NO5/c12-10(9-7-14-2-4-16-9)11-5-8-6-13-1-3-15-8/h6-7H,1-5H2,(H,11,12)
InChIKeyWQEVSJTXDDPZJQ-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.12
Rot. Bonds3

About N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 13088123) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID13088123
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC NameN-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCC1=COCCO1)C1=COCCO1
InChIInChI=1S/C10H13NO5/c12-10(9-7-14-2-4-16-9)11-5-8-6-13-1-3-15-8/h6-7H,1-5H2,(H,11,12)
InChIKeyWQEVSJTXDDPZJQ-UHFFFAOYSA-N
XLogP-0.12
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 13088123) is N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NCC1=COCCO1)C1=COCCO1.
What is the InChIKey of N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is WQEVSJTXDDPZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c12-10(9-7-14-2-4-16-9)11-5-8-6-13-1-3-15-8/h6-7H,1-5H2,(H,11,12).
What are the key properties of N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 227.22 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 13088123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).