oxan-4-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

C15H26N2O2 — CID 71936706

IUPACoxan-4-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCCC1CN1CCCC1
InChIInChI=1S/C15H26N2O2/c18-15(13-5-10-19-11-6-13)17-9-3-4-14(17)12-16-7-1-2-8-16/h13-14H,1-12H2
InChIKeyDKCINXMNVVUQLA-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.50
Rot. Bonds3

About oxan-4-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

oxan-4-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 71936706) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is oxan-4-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID71936706
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nameoxan-4-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCCC1CN1CCCC1
InChIInChI=1S/C15H26N2O2/c18-15(13-5-10-19-11-6-13)17-9-3-4-14(17)12-16-7-1-2-8-16/h13-14H,1-12H2
InChIKeyDKCINXMNVVUQLA-UHFFFAOYSA-N
XLogP1.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of oxan-4-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 71936706) is oxan-4-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for oxan-4-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for oxan-4-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C(C1CCOCC1)N1CCCC1CN1CCCC1.
What is the InChIKey of oxan-4-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is DKCINXMNVVUQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-15(13-5-10-19-11-6-13)17-9-3-4-14(17)12-16-7-1-2-8-16/h13-14H,1-12H2.
What are the key properties of oxan-4-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
oxan-4-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 266.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71936706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).