1'-(6-oxo-1H-pyrimidin-4-yl)-1-[(E)-3-phenylprop-2-enyl]spiro[indole-3,3'-pyrrolidine]-2-one

C24H22N4O2 — CID 157014506

IUPAC1'-(6-oxo-1H-pyrimidin-4-yl)-1-[(E)-3-phenylprop-2-enyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESO=C1N(C/C=C/c2ccccc2)c2ccccc2C12CCN(c1cc(=O)[nH]cn1)C2
InChIInChI=1S/C24H22N4O2/c29-22-15-21(25-17-26-22)27-14-12-24(16-27)19-10-4-5-11-20(19)28(23(24)30)13-6-9-18-7-2-1-3-8-18/h1-11,15,17H,12-14,16H2,(H,25,26,29)/b9-6+
InChIKeyDSCWTUBWCJTJKS-RMKNXTFCSA-N
MW398.47 g/mol
LogP2.98
Rot. Bonds4

About 1'-(6-oxo-1H-pyrimidin-4-yl)-1-[(E)-3-phenylprop-2-enyl]spiro[indole-3,3'-pyrrolidine]-2-one

1'-(6-oxo-1H-pyrimidin-4-yl)-1-[(E)-3-phenylprop-2-enyl]spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 157014506) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1'-(6-oxo-1H-pyrimidin-4-yl)-1-[(E)-3-phenylprop-2-enyl]spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(6-oxo-1H-pyrimidin-4-yl)-1-[(E)-3-phenylprop-2-enyl]spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID157014506
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name1'-(6-oxo-1H-pyrimidin-4-yl)-1-[(E)-3-phenylprop-2-enyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESO=C1N(C/C=C/c2ccccc2)c2ccccc2C12CCN(c1cc(=O)[nH]cn1)C2
InChIInChI=1S/C24H22N4O2/c29-22-15-21(25-17-26-22)27-14-12-24(16-27)19-10-4-5-11-20(19)28(23(24)30)13-6-9-18-7-2-1-3-8-18/h1-11,15,17H,12-14,16H2,(H,25,26,29)/b9-6+
InChIKeyDSCWTUBWCJTJKS-RMKNXTFCSA-N
XLogP2.98
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(1H-imidazole-2-carbonyl)-1-(3-phenylprop-2-enyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 171153478
2-[1'-(6-ethylpyrimidin-4-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70778039
(3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one
CID 98392744
1-benzyl-3-(2-ethoxyethyl)-8-(6-oxo-1H-pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166616607
(5R)-2-amino-5-[(3R)-3-hydroxy-2-oxo-1-[(E)-3-phenylprop-2-enyl]indol-3-yl]-1,3-thiazol-4-one
CID 51465603
4-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136958851
(5S)-1'-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 54589851
1'-[3-(3,4-dichlorophenyl)prop-2-enyl]-1,3-dimethylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 73309261
(1S,3R,3aR,6aS)-5-(3-chlorophenyl)-1-methyl-1'-[(Z)-3-phenylprop-2-enyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione
CID 40845004
N-ethyl-2-[1'-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 157015256
1-[(3,5-difluorophenyl)methyl]-1'-(1H-imidazol-5-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 157019197
(1S,3R,3aR,6aS)-5-benzyl-1-methyl-1'-[(Z)-3-phenylprop-2-enyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione
CID 51543964

Frequently Asked Questions

What is the IUPAC name of 1'-(6-oxo-1H-pyrimidin-4-yl)-1-[(E)-3-phenylprop-2-enyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(6-oxo-1H-pyrimidin-4-yl)-1-[(E)-3-phenylprop-2-enyl]spiro[indole-3,3'-pyrrolidine]-2-one (CID 157014506) is 1'-(6-oxo-1H-pyrimidin-4-yl)-1-[(E)-3-phenylprop-2-enyl]spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(6-oxo-1H-pyrimidin-4-yl)-1-[(E)-3-phenylprop-2-enyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(6-oxo-1H-pyrimidin-4-yl)-1-[(E)-3-phenylprop-2-enyl]spiro[indole-3,3'-pyrrolidine]-2-one is O=C1N(C/C=C/c2ccccc2)c2ccccc2C12CCN(c1cc(=O)[nH]cn1)C2.
What is the InChIKey of 1'-(6-oxo-1H-pyrimidin-4-yl)-1-[(E)-3-phenylprop-2-enyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is DSCWTUBWCJTJKS-RMKNXTFCSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-22-15-21(25-17-26-22)27-14-12-24(16-27)19-10-4-5-11-20(19)28(23(24)30)13-6-9-18-7-2-1-3-8-18/h1-11,15,17H,12-14,16H2,(H,25,26,29)/b9-6+.
What are the key properties of 1'-(6-oxo-1H-pyrimidin-4-yl)-1-[(E)-3-phenylprop-2-enyl]spiro[indole-3,3'-pyrrolidine]-2-one?
1'-(6-oxo-1H-pyrimidin-4-yl)-1-[(E)-3-phenylprop-2-enyl]spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 398.47 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-oxo-1H-pyrimidin-4-yl)-1-[(E)-3-phenylprop-2-enyl]spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 157014506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).