(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone

C12H20N2O — CID 114409449

IUPAC(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1=CCN(C(=O)C2(C)CCNC2)CC1
InChIInChI=1S/C12H20N2O/c1-10-3-7-14(8-4-10)11(15)12(2)5-6-13-9-12/h3,13H,4-9H2,1-2H3
InChIKeyPMZGWTCSUYZVHZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.16
Rot. Bonds1

About (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone

(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 114409449) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
PubChem CID114409449
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1=CCN(C(=O)C2(C)CCNC2)CC1
InChIInChI=1S/C12H20N2O/c1-10-3-7-14(8-4-10)11(15)12(2)5-6-13-9-12/h3,13H,4-9H2,1-2H3
InChIKeyPMZGWTCSUYZVHZ-UHFFFAOYSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 114459997
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
(3-methylpyrrolidin-3-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 55164845
azepan-1-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119669541
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119700089
[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 63141362
(3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 79180510
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981337
(4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138776
3,6-dihydro-2H-pyridin-1-yl-(4-methylpiperidin-4-yl)methanone
CID 114409116
1-(3-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63141724
[4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 63141844

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone (CID 114409449) is (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone is CC1=CCN(C(=O)C2(C)CCNC2)CC1.
What is the InChIKey of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is PMZGWTCSUYZVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-3-7-14(8-4-10)11(15)12(2)5-6-13-9-12/h3,13H,4-9H2,1-2H3.
What are the key properties of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone?
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 208.30 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 114409449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).