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

C11H18N2O — CID 106313552

IUPAC(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone
SMILESCC1=CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C11H18N2O/c1-10-5-4-8-13(9-10)11(14)12-6-2-3-7-12/h5H,2-4,6-9H2,1H3
InChIKeyKGTJLWSYUNZIHR-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.85
Rot. Bonds

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

(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone (PubChem CID 106313552) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone
PubChem CID106313552
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone
SMILESCC1=CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C11H18N2O/c1-10-5-4-8-13(9-10)11(14)12-6-2-3-7-12/h5H,2-4,6-9H2,1H3
InChIKeyKGTJLWSYUNZIHR-UHFFFAOYSA-N
XLogP1.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-piperidin-1-ylmethanone
CID 166214944
2-[1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]propanoic acid
CID 114172600
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 106316937
ethyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 106316934
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 106313965
2-chloro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 106313518
3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 106316277
N-cyclohexyl-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 106313541
cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 106313385
(3,5-dihydroxyphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314401
(2R,4R)-4-hydroxy-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 106316043
2-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanenitrile
CID 106314149

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone (CID 106313552) is (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone is CC1=CCCN(C(=O)N2CCCC2)C1.
What is the InChIKey of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is KGTJLWSYUNZIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10-5-4-8-13(9-10)11(14)12-6-2-3-7-12/h5H,2-4,6-9H2,1H3.
What are the key properties of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone?
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 194.28 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 106313552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).