oxan-3-yl-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

C14H24N2O2 — CID 55109947

IUPACoxan-3-yl-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(C1CCCOC1)N1CCCC1C1CCCN1
InChIInChI=1S/C14H24N2O2/c17-14(11-4-3-9-18-10-11)16-8-2-6-13(16)12-5-1-7-15-12/h11-13,15H,1-10H2
InChIKeyHLQKMHKYHXAHPK-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.16
Rot. Bonds2

About oxan-3-yl-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

oxan-3-yl-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 55109947) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is oxan-3-yl-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Nameoxan-3-yl-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
PubChem CID55109947
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nameoxan-3-yl-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(C1CCCOC1)N1CCCC1C1CCCN1
InChIInChI=1S/C14H24N2O2/c17-14(11-4-3-9-18-10-11)16-8-2-6-13(16)12-5-1-7-15-12/h11-13,15H,1-10H2
InChIKeyHLQKMHKYHXAHPK-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62760321
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CID 62760329
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CID 62760499
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Frequently Asked Questions

What is the IUPAC name of oxan-3-yl-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of oxan-3-yl-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (CID 55109947) is oxan-3-yl-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for oxan-3-yl-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for oxan-3-yl-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is O=C(C1CCCOC1)N1CCCC1C1CCCN1.
What is the InChIKey of oxan-3-yl-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is HLQKMHKYHXAHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-14(11-4-3-9-18-10-11)16-8-2-6-13(16)12-5-1-7-15-12/h11-13,15H,1-10H2.
What are the key properties of oxan-3-yl-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
oxan-3-yl-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 252.36 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-yl-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 55109947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).