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

C14H24N2O — CID 19987462

IUPAC3-ethyl-1-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one
SMILESCCC1C(=O)N(C)CC1CC1=CCCN(C)C1
InChIInChI=1S/C14H24N2O/c1-4-13-12(10-16(3)14(13)17)8-11-6-5-7-15(2)9-11/h6,12-13H,4-5,7-10H2,1-3H3
InChIKeyJMJFKDPNAZJMBL-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.75
Rot. Bonds3

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

3-ethyl-1-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one (PubChem CID 19987462) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-ethyl-1-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-ethyl-1-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one
PubChem CID19987462
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-ethyl-1-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one
SMILESCCC1C(=O)N(C)CC1CC1=CCCN(C)C1
InChIInChI=1S/C14H24N2O/c1-4-13-12(10-16(3)14(13)17)8-11-6-5-7-15(2)9-11/h6,12-13H,4-5,7-10H2,1-3H3
InChIKeyJMJFKDPNAZJMBL-UHFFFAOYSA-N
XLogP1.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-ethyl-1-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one (CID 19987462) is 3-ethyl-1-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-ethyl-1-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-ethyl-1-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one is CCC1C(=O)N(C)CC1CC1=CCCN(C)C1.
What is the InChIKey of 3-ethyl-1-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one?
The InChIKey is JMJFKDPNAZJMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-13-12(10-16(3)14(13)17)8-11-6-5-7-15(2)9-11/h6,12-13H,4-5,7-10H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one?
3-ethyl-1-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one has a molecular weight of 236.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 19987462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).