(10Z)-10-(1-phenylethylidene)-1,2,3,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5-one

C20H19NO — CID 11437722

IUPAC(10Z)-10-(1-phenylethylidene)-1,2,3,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5-one
SMILESC/C(=C1\c2ccccc2C(=O)N2CCCC12)c1ccccc1
InChIInChI=1S/C20H19NO/c1-14(15-8-3-2-4-9-15)19-16-10-5-6-11-17(16)20(22)21-13-7-12-18(19)21/h2-6,8-11,18H,7,12-13H2,1H3/b19-14-
InChIKeyWKXFNKCUUQSVEC-RGEXLXHISA-N
MW289.38 g/mol
LogP4.24
Rot. Bonds1

About (10Z)-10-(1-phenylethylidene)-1,2,3,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5-one

(10Z)-10-(1-phenylethylidene)-1,2,3,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5-one (PubChem CID 11437722) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is (10Z)-10-(1-phenylethylidene)-1,2,3,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5-one.

Molecular Properties

Compound Name(10Z)-10-(1-phenylethylidene)-1,2,3,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5-one
PubChem CID11437722
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name(10Z)-10-(1-phenylethylidene)-1,2,3,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5-one
SMILESC/C(=C1\c2ccccc2C(=O)N2CCCC12)c1ccccc1
InChIInChI=1S/C20H19NO/c1-14(15-8-3-2-4-9-15)19-16-10-5-6-11-17(16)20(22)21-13-7-12-18(19)21/h2-6,8-11,18H,7,12-13H2,1H3/b19-14-
InChIKeyWKXFNKCUUQSVEC-RGEXLXHISA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10Z)-10-(1-phenylethylidene)-1,2,3,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5-one?
The IUPAC name of (10Z)-10-(1-phenylethylidene)-1,2,3,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5-one (CID 11437722) is (10Z)-10-(1-phenylethylidene)-1,2,3,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5-one.
What is the SMILES notation for (10Z)-10-(1-phenylethylidene)-1,2,3,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5-one?
The canonical SMILES for (10Z)-10-(1-phenylethylidene)-1,2,3,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5-one is C/C(=C1\c2ccccc2C(=O)N2CCCC12)c1ccccc1.
What is the InChIKey of (10Z)-10-(1-phenylethylidene)-1,2,3,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5-one?
The InChIKey is WKXFNKCUUQSVEC-RGEXLXHISA-N. The full InChI is InChI=1S/C20H19NO/c1-14(15-8-3-2-4-9-15)19-16-10-5-6-11-17(16)20(22)21-13-7-12-18(19)21/h2-6,8-11,18H,7,12-13H2,1H3/b19-14-.
What are the key properties of (10Z)-10-(1-phenylethylidene)-1,2,3,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5-one?
(10Z)-10-(1-phenylethylidene)-1,2,3,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5-one has a molecular weight of 289.38 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-10-(1-phenylethylidene)-1,2,3,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5-one is sourced from PubChem (CID 11437722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).