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

C12H20N2O — CID 114409389

IUPAC(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
SMILESCC1=CCN(C(=O)C2CNCC2C)CC1
InChIInChI=1S/C12H20N2O/c1-9-3-5-14(6-4-9)12(15)11-8-13-7-10(11)2/h3,10-11,13H,4-8H2,1-2H3
InChIKeyXHQZRTQEAMNDSS-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.02
Rot. Bonds1

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

(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylpyrrolidin-3-yl)methanone (PubChem CID 114409389) 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)-(4-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
PubChem CID114409389
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
SMILESCC1=CCN(C(=O)C2CNCC2C)CC1
InChIInChI=1S/C12H20N2O/c1-9-3-5-14(6-4-9)12(15)11-8-13-7-10(11)2/h3,10-11,13H,4-8H2,1-2H3
InChIKeyXHQZRTQEAMNDSS-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
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 (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylpyrrolidin-3-yl)methanone (CID 114409389) is (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylpyrrolidin-3-yl)methanone is CC1=CCN(C(=O)C2CNCC2C)CC1.
What is the InChIKey of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylpyrrolidin-3-yl)methanone?
The InChIKey is XHQZRTQEAMNDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-3-5-14(6-4-9)12(15)11-8-13-7-10(11)2/h3,10-11,13H,4-8H2,1-2H3.
What are the key properties of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylpyrrolidin-3-yl)methanone?
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylpyrrolidin-3-yl)methanone has a molecular weight of 208.30 g/mol, XLogP of 1.02, 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)-(4-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 114409389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).