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

C11H18N2O — CID 14105595

IUPAC1-(4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC(=O)N1CC=C(N2CCCC2)CC1
InChIInChI=1S/C11H18N2O/c1-10(14)12-8-4-11(5-9-12)13-6-2-3-7-13/h4H,2-3,5-9H2,1H3
InChIKeyPHJGVVNMERWTPK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.22
Rot. Bonds1

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

1-(4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 14105595) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID14105595
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC(=O)N1CC=C(N2CCCC2)CC1
InChIInChI=1S/C11H18N2O/c1-10(14)12-8-4-11(5-9-12)13-6-2-3-7-13/h4H,2-3,5-9H2,1H3
InChIKeyPHJGVVNMERWTPK-UHFFFAOYSA-N
XLogP1.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 1-(4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 14105595) is 1-(4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 1-(4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone is CC(=O)N1CC=C(N2CCCC2)CC1.
What is the InChIKey of 1-(4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is PHJGVVNMERWTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10(14)12-8-4-11(5-9-12)13-6-2-3-7-13/h4H,2-3,5-9H2,1H3.
What are the key properties of 1-(4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
1-(4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 194.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 14105595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).