(Z)-2-methyl-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pent-2-en-1-one

C15H20N2O — CID 95339397

IUPAC(Z)-2-methyl-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pent-2-en-1-one
SMILESCC/C=C(/C)C(=O)N1CCC[C@@H]1c1cccnc1
InChIInChI=1S/C15H20N2O/c1-3-6-12(2)15(18)17-10-5-8-14(17)13-7-4-9-16-11-13/h4,6-7,9,11,14H,3,5,8,10H2,1-2H3/b12-6-/t14-/m1/s1
InChIKeyIHMBOSWILQBLCZ-NFEOESJKSA-N
MW244.34 g/mol
LogP3.10
Rot. Bonds3

About (Z)-2-methyl-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pent-2-en-1-one

(Z)-2-methyl-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pent-2-en-1-one (PubChem CID 95339397) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (Z)-2-methyl-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pent-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-methyl-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pent-2-en-1-one
PubChem CID95339397
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(Z)-2-methyl-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pent-2-en-1-one
SMILESCC/C=C(/C)C(=O)N1CCC[C@@H]1c1cccnc1
InChIInChI=1S/C15H20N2O/c1-3-6-12(2)15(18)17-10-5-8-14(17)13-7-4-9-16-11-13/h4,6-7,9,11,14H,3,5,8,10H2,1-2H3/b12-6-/t14-/m1/s1
InChIKeyIHMBOSWILQBLCZ-NFEOESJKSA-N
XLogP3.10
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
CID 55125872
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(E)-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)but-2-enoic acid
CID 43578410
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
3-oxo-3-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]propanenitrile
CID 129491996
3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propanenitrile
CID 121204678
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 14233094
2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid
CID 65302628
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pent-2-en-1-one?
The IUPAC name of (Z)-2-methyl-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pent-2-en-1-one (CID 95339397) is (Z)-2-methyl-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pent-2-en-1-one.
What is the SMILES notation for (Z)-2-methyl-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pent-2-en-1-one?
The canonical SMILES for (Z)-2-methyl-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pent-2-en-1-one is CC/C=C(/C)C(=O)N1CCC[C@@H]1c1cccnc1.
What is the InChIKey of (Z)-2-methyl-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pent-2-en-1-one?
The InChIKey is IHMBOSWILQBLCZ-NFEOESJKSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-6-12(2)15(18)17-10-5-8-14(17)13-7-4-9-16-11-13/h4,6-7,9,11,14H,3,5,8,10H2,1-2H3/b12-6-/t14-/m1/s1.
What are the key properties of (Z)-2-methyl-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pent-2-en-1-one?
(Z)-2-methyl-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pent-2-en-1-one has a molecular weight of 244.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pent-2-en-1-one is sourced from PubChem (CID 95339397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).