2,5-dihydropyrrol-1-yl-(5-methylpiperidin-2-yl)methanone

C11H18N2O — CID 123587238

IUPAC2,5-dihydropyrrol-1-yl-(5-methylpiperidin-2-yl)methanone
SMILESCC1CCC(C(=O)N2CC=CC2)NC1
InChIInChI=1S/C11H18N2O/c1-9-4-5-10(12-8-9)11(14)13-6-2-3-7-13/h2-3,9-10,12H,4-8H2,1H3
InChIKeyFGOHQCZKGCDRKQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.77
Rot. Bonds1

About 2,5-dihydropyrrol-1-yl-(5-methylpiperidin-2-yl)methanone

2,5-dihydropyrrol-1-yl-(5-methylpiperidin-2-yl)methanone (PubChem CID 123587238) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,5-dihydropyrrol-1-yl-(5-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name2,5-dihydropyrrol-1-yl-(5-methylpiperidin-2-yl)methanone
PubChem CID123587238
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2,5-dihydropyrrol-1-yl-(5-methylpiperidin-2-yl)methanone
SMILESCC1CCC(C(=O)N2CC=CC2)NC1
InChIInChI=1S/C11H18N2O/c1-9-4-5-10(12-8-9)11(14)13-6-2-3-7-13/h2-3,9-10,12H,4-8H2,1H3
InChIKeyFGOHQCZKGCDRKQ-UHFFFAOYSA-N
XLogP0.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.77
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 2,5-dihydropyrrol-1-yl-(5-methylpiperidin-2-yl)methanone?
The IUPAC name of 2,5-dihydropyrrol-1-yl-(5-methylpiperidin-2-yl)methanone (CID 123587238) is 2,5-dihydropyrrol-1-yl-(5-methylpiperidin-2-yl)methanone.
What is the SMILES notation for 2,5-dihydropyrrol-1-yl-(5-methylpiperidin-2-yl)methanone?
The canonical SMILES for 2,5-dihydropyrrol-1-yl-(5-methylpiperidin-2-yl)methanone is CC1CCC(C(=O)N2CC=CC2)NC1.
What is the InChIKey of 2,5-dihydropyrrol-1-yl-(5-methylpiperidin-2-yl)methanone?
The InChIKey is FGOHQCZKGCDRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-4-5-10(12-8-9)11(14)13-6-2-3-7-13/h2-3,9-10,12H,4-8H2,1H3.
What are the key properties of 2,5-dihydropyrrol-1-yl-(5-methylpiperidin-2-yl)methanone?
2,5-dihydropyrrol-1-yl-(5-methylpiperidin-2-yl)methanone has a molecular weight of 194.28 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyrrol-1-yl-(5-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 123587238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).