1-[5-[(2R)-pyrrolidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone

C11H18N2O — CID 14413772

IUPAC1-[5-[(2R)-pyrrolidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1C=C([C@H]2CCCN2)CCC1
InChIInChI=1S/C11H18N2O/c1-9(14)13-7-3-4-10(8-13)11-5-2-6-12-11/h8,11-12H,2-7H2,1H3/t11-/m1/s1
InChIKeyOKDJOXDHOFRJQQ-LLVKDONJSA-N
MW194.28 g/mol
LogP1.26
Rot. Bonds1

About 1-[5-[(2R)-pyrrolidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone

1-[5-[(2R)-pyrrolidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 14413772) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[5-[(2R)-pyrrolidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(2R)-pyrrolidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID14413772
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[5-[(2R)-pyrrolidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1C=C([C@H]2CCCN2)CCC1
InChIInChI=1S/C11H18N2O/c1-9(14)13-7-3-4-10(8-13)11-5-2-6-12-11/h8,11-12H,2-7H2,1H3/t11-/m1/s1
InChIKeyOKDJOXDHOFRJQQ-LLVKDONJSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2R)-pyrrolidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[5-[(2R)-pyrrolidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone (CID 14413772) is 1-[5-[(2R)-pyrrolidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[5-[(2R)-pyrrolidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[5-[(2R)-pyrrolidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1C=C([C@H]2CCCN2)CCC1.
What is the InChIKey of 1-[5-[(2R)-pyrrolidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is OKDJOXDHOFRJQQ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(14)13-7-3-4-10(8-13)11-5-2-6-12-11/h8,11-12H,2-7H2,1H3/t11-/m1/s1.
What are the key properties of 1-[5-[(2R)-pyrrolidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone?
1-[5-[(2R)-pyrrolidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 194.28 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2R)-pyrrolidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 14413772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).