N-(methoxymethyl)-1,3-dioxole-4-carboxamide

C6H9NO4 — CID 54096602

IUPACN-(methoxymethyl)-1,3-dioxole-4-carboxamide
SMILESCOCNC(=O)C1=COCO1
InChIInChI=1S/C6H9NO4/c1-9-3-7-6(8)5-2-10-4-11-5/h2H,3-4H2,1H3,(H,7,8)
InChIKeyMXNUREZFUNKRJG-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.45
Rot. Bonds3

About N-(methoxymethyl)-1,3-dioxole-4-carboxamide

N-(methoxymethyl)-1,3-dioxole-4-carboxamide (PubChem CID 54096602) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is N-(methoxymethyl)-1,3-dioxole-4-carboxamide.

Molecular Properties

Compound NameN-(methoxymethyl)-1,3-dioxole-4-carboxamide
PubChem CID54096602
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC NameN-(methoxymethyl)-1,3-dioxole-4-carboxamide
SMILESCOCNC(=O)C1=COCO1
InChIInChI=1S/C6H9NO4/c1-9-3-7-6(8)5-2-10-4-11-5/h2H,3-4H2,1H3,(H,7,8)
InChIKeyMXNUREZFUNKRJG-UHFFFAOYSA-N
XLogP-0.45
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-1,3-dioxole-4-carboxamide?
The IUPAC name of N-(methoxymethyl)-1,3-dioxole-4-carboxamide (CID 54096602) is N-(methoxymethyl)-1,3-dioxole-4-carboxamide.
What is the SMILES notation for N-(methoxymethyl)-1,3-dioxole-4-carboxamide?
The canonical SMILES for N-(methoxymethyl)-1,3-dioxole-4-carboxamide is COCNC(=O)C1=COCO1.
What is the InChIKey of N-(methoxymethyl)-1,3-dioxole-4-carboxamide?
The InChIKey is MXNUREZFUNKRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-9-3-7-6(8)5-2-10-4-11-5/h2H,3-4H2,1H3,(H,7,8).
What are the key properties of N-(methoxymethyl)-1,3-dioxole-4-carboxamide?
N-(methoxymethyl)-1,3-dioxole-4-carboxamide has a molecular weight of 159.14 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-1,3-dioxole-4-carboxamide is sourced from PubChem (CID 54096602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).