1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone

C12H20N2O — CID 106313674

IUPAC1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone
SMILESCC1=CCCN(C(=O)CC2CCNC2)C1
InChIInChI=1S/C12H20N2O/c1-10-3-2-6-14(9-10)12(15)7-11-4-5-13-8-11/h3,11,13H,2,4-9H2,1H3
InChIKeyFQACUURBKWEKJA-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.16
Rot. Bonds2

About 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone

1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone (PubChem CID 106313674) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone
PubChem CID106313674
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone
SMILESCC1=CCCN(C(=O)CC2CCNC2)C1
InChIInChI=1S/C12H20N2O/c1-10-3-2-6-14(9-10)12(15)7-11-4-5-13-8-11/h3,11,13H,2,4-9H2,1H3
InChIKeyFQACUURBKWEKJA-UHFFFAOYSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
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 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone?
The IUPAC name of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone (CID 106313674) is 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone.
What is the SMILES notation for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone?
The canonical SMILES for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone is CC1=CCCN(C(=O)CC2CCNC2)C1.
What is the InChIKey of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone?
The InChIKey is FQACUURBKWEKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-3-2-6-14(9-10)12(15)7-11-4-5-13-8-11/h3,11,13H,2,4-9H2,1H3.
What are the key properties of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone?
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone has a molecular weight of 208.30 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone is sourced from PubChem (CID 106313674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).