oxan-3-yl-[4-(propylamino)oxolan-3-yl]methanone

C13H23NO3 — CID 107138423

IUPACoxan-3-yl-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)C1CCCOC1
InChIInChI=1S/C13H23NO3/c1-2-5-14-12-9-17-8-11(12)13(15)10-4-3-6-16-7-10/h10-12,14H,2-9H2,1H3
InChIKeyKXJLQZAQTHVNFR-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.00
Rot. Bonds5

About oxan-3-yl-[4-(propylamino)oxolan-3-yl]methanone

oxan-3-yl-[4-(propylamino)oxolan-3-yl]methanone (PubChem CID 107138423) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is oxan-3-yl-[4-(propylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Nameoxan-3-yl-[4-(propylamino)oxolan-3-yl]methanone
PubChem CID107138423
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameoxan-3-yl-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)C1CCCOC1
InChIInChI=1S/C13H23NO3/c1-2-5-14-12-9-17-8-11(12)13(15)10-4-3-6-16-7-10/h10-12,14H,2-9H2,1H3
InChIKeyKXJLQZAQTHVNFR-UHFFFAOYSA-N
XLogP1.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxan-3-yl-[4-(propylamino)oxolan-3-yl]methanone?
The IUPAC name of oxan-3-yl-[4-(propylamino)oxolan-3-yl]methanone (CID 107138423) is oxan-3-yl-[4-(propylamino)oxolan-3-yl]methanone.
What is the SMILES notation for oxan-3-yl-[4-(propylamino)oxolan-3-yl]methanone?
The canonical SMILES for oxan-3-yl-[4-(propylamino)oxolan-3-yl]methanone is CCCNC1COCC1C(=O)C1CCCOC1.
What is the InChIKey of oxan-3-yl-[4-(propylamino)oxolan-3-yl]methanone?
The InChIKey is KXJLQZAQTHVNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-5-14-12-9-17-8-11(12)13(15)10-4-3-6-16-7-10/h10-12,14H,2-9H2,1H3.
What are the key properties of oxan-3-yl-[4-(propylamino)oxolan-3-yl]methanone?
oxan-3-yl-[4-(propylamino)oxolan-3-yl]methanone has a molecular weight of 241.33 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-yl-[4-(propylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 107138423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).