(5R)-4-methylidene-5-phenyl-3-propan-2-ylidenepyrrolidin-2-one

C14H15NO — CID 94034826

IUPAC(5R)-4-methylidene-5-phenyl-3-propan-2-ylidenepyrrolidin-2-one
SMILESC=C1C(=C(C)C)C(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C14H15NO/c1-9(2)12-10(3)13(15-14(12)16)11-7-5-4-6-8-11/h4-8,13H,3H2,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyBWNPLPNQEILIQO-ZDUSSCGKSA-N
MW213.28 g/mol
LogP2.75
Rot. Bonds1

About (5R)-4-methylidene-5-phenyl-3-propan-2-ylidenepyrrolidin-2-one

(5R)-4-methylidene-5-phenyl-3-propan-2-ylidenepyrrolidin-2-one (PubChem CID 94034826) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (5R)-4-methylidene-5-phenyl-3-propan-2-ylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-4-methylidene-5-phenyl-3-propan-2-ylidenepyrrolidin-2-one
PubChem CID94034826
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(5R)-4-methylidene-5-phenyl-3-propan-2-ylidenepyrrolidin-2-one
SMILESC=C1C(=C(C)C)C(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C14H15NO/c1-9(2)12-10(3)13(15-14(12)16)11-7-5-4-6-8-11/h4-8,13H,3H2,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyBWNPLPNQEILIQO-ZDUSSCGKSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 11323083
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CID 5395441
(5R)-4-[hydroxy-(4-methylphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 698911
2-methylidene-3-phenylcyclopentan-1-one
CID 24978032
sodium 4-hydroxy-3-nitro-2-phenyl-1,2-dihydropyrrol-5-one
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(3R)-5-acetyl-4-methyl-3-phenyl-2,3-dihydro-1H-pyridazin-6-one
CID 95988537
(3S,5R)-3-amino-5-phenylpyrrolidin-2-one
CID 99646622
(4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7379197
5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716
(5R)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 770307
5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 20707073
phenyl 3,6-dioxo-1-phenyl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-4-sulfonate
CID 173291625

Frequently Asked Questions

What is the IUPAC name of (5R)-4-methylidene-5-phenyl-3-propan-2-ylidenepyrrolidin-2-one?
The IUPAC name of (5R)-4-methylidene-5-phenyl-3-propan-2-ylidenepyrrolidin-2-one (CID 94034826) is (5R)-4-methylidene-5-phenyl-3-propan-2-ylidenepyrrolidin-2-one.
What is the SMILES notation for (5R)-4-methylidene-5-phenyl-3-propan-2-ylidenepyrrolidin-2-one?
The canonical SMILES for (5R)-4-methylidene-5-phenyl-3-propan-2-ylidenepyrrolidin-2-one is C=C1C(=C(C)C)C(=O)N[C@@H]1c1ccccc1.
What is the InChIKey of (5R)-4-methylidene-5-phenyl-3-propan-2-ylidenepyrrolidin-2-one?
The InChIKey is BWNPLPNQEILIQO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15NO/c1-9(2)12-10(3)13(15-14(12)16)11-7-5-4-6-8-11/h4-8,13H,3H2,1-2H3,(H,15,16)/t13-/m0/s1.
What are the key properties of (5R)-4-methylidene-5-phenyl-3-propan-2-ylidenepyrrolidin-2-one?
(5R)-4-methylidene-5-phenyl-3-propan-2-ylidenepyrrolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-methylidene-5-phenyl-3-propan-2-ylidenepyrrolidin-2-one is sourced from PubChem (CID 94034826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).