(4-phenyloxan-4-yl)-pyrrolidin-1-ylmethanone

C16H21NO2 — CID 744323

IUPAC(4-phenyloxan-4-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C16H21NO2/c18-15(17-10-4-5-11-17)16(8-12-19-13-9-16)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2
InChIKeyOITWUAYOICOFTF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.36
Rot. Bonds2

About (4-phenyloxan-4-yl)-pyrrolidin-1-ylmethanone

(4-phenyloxan-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 744323) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (4-phenyloxan-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-phenyloxan-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID744323
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(4-phenyloxan-4-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C16H21NO2/c18-15(17-10-4-5-11-17)16(8-12-19-13-9-16)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2
InChIKeyOITWUAYOICOFTF-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-phenyloxan-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-phenyloxan-4-yl)-pyrrolidin-1-ylmethanone (CID 744323) is (4-phenyloxan-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-phenyloxan-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-phenyloxan-4-yl)-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of (4-phenyloxan-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is OITWUAYOICOFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-15(17-10-4-5-11-17)16(8-12-19-13-9-16)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2.
What are the key properties of (4-phenyloxan-4-yl)-pyrrolidin-1-ylmethanone?
(4-phenyloxan-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 259.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyloxan-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 744323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).