N-(2,2,5-trimethyl-1,3-dioxan-5-yl)formamide

C8H15NO3 — CID 71350145

IUPACN-(2,2,5-trimethyl-1,3-dioxan-5-yl)formamide
SMILESCC1(NC=O)COC(C)(C)OC1
InChIInChI=1S/C8H15NO3/c1-7(2)11-4-8(3,5-12-7)9-6-10/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyPVHOZYJISCJEPG-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.27
Rot. Bonds2

About N-(2,2,5-trimethyl-1,3-dioxan-5-yl)formamide

N-(2,2,5-trimethyl-1,3-dioxan-5-yl)formamide (PubChem CID 71350145) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-(2,2,5-trimethyl-1,3-dioxan-5-yl)formamide.

Molecular Properties

Compound NameN-(2,2,5-trimethyl-1,3-dioxan-5-yl)formamide
PubChem CID71350145
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-(2,2,5-trimethyl-1,3-dioxan-5-yl)formamide
SMILESCC1(NC=O)COC(C)(C)OC1
InChIInChI=1S/C8H15NO3/c1-7(2)11-4-8(3,5-12-7)9-6-10/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyPVHOZYJISCJEPG-UHFFFAOYSA-N
XLogP0.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,5-trimethyl-1,3-dioxan-5-yl)formamide?
The IUPAC name of N-(2,2,5-trimethyl-1,3-dioxan-5-yl)formamide (CID 71350145) is N-(2,2,5-trimethyl-1,3-dioxan-5-yl)formamide.
What is the SMILES notation for N-(2,2,5-trimethyl-1,3-dioxan-5-yl)formamide?
The canonical SMILES for N-(2,2,5-trimethyl-1,3-dioxan-5-yl)formamide is CC1(NC=O)COC(C)(C)OC1.
What is the InChIKey of N-(2,2,5-trimethyl-1,3-dioxan-5-yl)formamide?
The InChIKey is PVHOZYJISCJEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-7(2)11-4-8(3,5-12-7)9-6-10/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of N-(2,2,5-trimethyl-1,3-dioxan-5-yl)formamide?
N-(2,2,5-trimethyl-1,3-dioxan-5-yl)formamide has a molecular weight of 173.21 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,5-trimethyl-1,3-dioxan-5-yl)formamide is sourced from PubChem (CID 71350145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).