1,3-diethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one

C15H26N2O — CID 19987411

IUPAC1,3-diethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one
SMILESCCC1C(CN(C1=O)CC)CC2=CCCN(C2)C
InChIInChI=1S/C15H26N2O/c1-4-14-13(11-17(5-2)15(14)18)9-12-7-6-8-16(3)10-12/h7,13-14H,4-6,8-11H2,1-3H3
InChIKeyQYQLJHVTXHDZDV-UHFFFAOYSA-N
MW250.38 g/mol
LogP1.50
Rot. Bonds4

About 1,3-diethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one

1,3-diethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one (PubChem CID 19987411) has the molecular formula C15H26N2O and a molecular weight of 250.38 g/mol. Its IUPAC name is 1,3-diethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1,3-diethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one
PubChem CID19987411
Molecular FormulaC15H26N2O
Molecular Weight250.38 g/mol
Exact Mass250.20
IUPAC Name1,3-diethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one
SMILESCCC1C(CN(C1=O)CC)CC2=CCCN(C2)C
InChIInChI=1S/C15H26N2O/c1-4-14-13(11-17(5-2)15(14)18)9-12-7-6-8-16(3)10-12/h7,13-14H,4-6,8-11H2,1-3H3
InChIKeyQYQLJHVTXHDZDV-UHFFFAOYSA-N
XLogP1.50
TPSA23.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity337

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 2954371
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CID 2865009
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CID 2971643
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CID 132837700
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CID 58193768
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CID 58193784
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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1,3-diethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one (CID 19987411) is 1,3-diethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1,3-diethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1,3-diethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one is CCC1C(CN(C1=O)CC)CC2=CCCN(C2)C.
What is the InChIKey of 1,3-diethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one?
The InChIKey is QYQLJHVTXHDZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-14-13(11-17(5-2)15(14)18)9-12-7-6-8-16(3)10-12/h7,13-14H,4-6,8-11H2,1-3H3.
What are the key properties of 1,3-diethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one?
1,3-diethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one has a molecular weight of 250.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 19987411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).