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

C12H20N2O — CID 106313796

IUPAC(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1=CCCN(C(=O)C2(C)CCCN2)C1
InChIInChI=1S/C12H20N2O/c1-10-5-3-8-14(9-10)11(15)12(2)6-4-7-13-12/h5,13H,3-4,6-9H2,1-2H3
InChIKeyBWMSUUYGFVQKEE-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.31
Rot. Bonds1

About (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpyrrolidin-2-yl)methanone

(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpyrrolidin-2-yl)methanone (PubChem CID 106313796) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpyrrolidin-2-yl)methanone
PubChem CID106313796
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1=CCCN(C(=O)C2(C)CCCN2)C1
InChIInChI=1S/C12H20N2O/c1-10-5-3-8-14(9-10)11(15)12(2)6-4-7-13-12/h5,13H,3-4,6-9H2,1-2H3
InChIKeyBWMSUUYGFVQKEE-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
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 (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpyrrolidin-2-yl)methanone?
The IUPAC name of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpyrrolidin-2-yl)methanone (CID 106313796) is (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpyrrolidin-2-yl)methanone is CC1=CCCN(C(=O)C2(C)CCCN2)C1.
What is the InChIKey of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpyrrolidin-2-yl)methanone?
The InChIKey is BWMSUUYGFVQKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-5-3-8-14(9-10)11(15)12(2)6-4-7-13-12/h5,13H,3-4,6-9H2,1-2H3.
What are the key properties of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpyrrolidin-2-yl)methanone?
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpyrrolidin-2-yl)methanone has a molecular weight of 208.30 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 106313796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).