4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine

C13H23NO2 — CID 131647117

IUPAC4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine
SMILESC1COC2CCNCC2(COCC2CC2)C1
InChIInChI=1S/C13H23NO2/c1-5-13(10-15-8-11-2-3-11)9-14-6-4-12(13)16-7-1/h11-12,14H,1-10H2
InChIKeyDTKGAAOGOXOWRT-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.57
Rot. Bonds4

About 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine

4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine (PubChem CID 131647117) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine.

Molecular Properties

Compound Name4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine
PubChem CID131647117
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine
SMILESC1COC2CCNCC2(COCC2CC2)C1
InChIInChI=1S/C13H23NO2/c1-5-13(10-15-8-11-2-3-11)9-14-6-4-12(13)16-7-1/h11-12,14H,1-10H2
InChIKeyDTKGAAOGOXOWRT-UHFFFAOYSA-N
XLogP1.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine?
The IUPAC name of 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine (CID 131647117) is 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine.
What is the SMILES notation for 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine?
The canonical SMILES for 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine is C1COC2CCNCC2(COCC2CC2)C1.
What is the InChIKey of 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine?
The InChIKey is DTKGAAOGOXOWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-13(10-15-8-11-2-3-11)9-14-6-4-12(13)16-7-1/h11-12,14H,1-10H2.
What are the key properties of 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine?
4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine has a molecular weight of 225.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine is sourced from PubChem (CID 131647117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).