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

C11H18N2O — CID 115766530

IUPAC(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone
SMILESCC1=CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C11H18N2O/c1-10-4-8-13(9-5-10)11(14)12-6-2-3-7-12/h4H,2-3,5-9H2,1H3
InChIKeyNYZPYTZAWHKHAZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.85
Rot. Bonds

About (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone

(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone (PubChem CID 115766530) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone
PubChem CID115766530
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone
SMILESCC1=CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C11H18N2O/c1-10-4-8-13(9-5-10)11(14)12-6-2-3-7-12/h4H,2-3,5-9H2,1H3
InChIKeyNYZPYTZAWHKHAZ-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'}

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone (CID 115766530) is (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone is CC1=CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is NYZPYTZAWHKHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10-4-8-13(9-5-10)11(14)12-6-2-3-7-12/h4H,2-3,5-9H2,1H3.
What are the key properties of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone?
(4-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 (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 115766530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).