1-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]pyrrolidin-2-one

C13H22N2O2 — CID 55030644

IUPAC1-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCC1CCC=CO1
InChIInChI=1S/C13H22N2O2/c1-11(10-15-7-4-6-13(15)16)14-9-12-5-2-3-8-17-12/h3,8,11-12,14H,2,4-7,9-10H2,1H3
InChIKeyKSLCHJMJORPMIK-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.28
Rot. Bonds5

About 1-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]pyrrolidin-2-one

1-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]pyrrolidin-2-one (PubChem CID 55030644) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]pyrrolidin-2-one
PubChem CID55030644
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCC1CCC=CO1
InChIInChI=1S/C13H22N2O2/c1-11(10-15-7-4-6-13(15)16)14-9-12-5-2-3-8-17-12/h3,8,11-12,14H,2,4-7,9-10H2,1H3
InChIKeyKSLCHJMJORPMIK-UHFFFAOYSA-N
XLogP1.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]pyrrolidin-2-one (CID 55030644) is 1-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NCC1CCC=CO1.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]pyrrolidin-2-one?
The InChIKey is KSLCHJMJORPMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11(10-15-7-4-6-13(15)16)14-9-12-5-2-3-8-17-12/h3,8,11-12,14H,2,4-7,9-10H2,1H3.
What are the key properties of 1-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]pyrrolidin-2-one?
1-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]pyrrolidin-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 55030644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).