3-[[2-(dimethylamino)cyclohepta[b]pyrrol-3-yl]methylidene]-1H-indol-2-one

C20H17N3O — CID 68580876

IUPAC3-[[2-(dimethylamino)cyclohepta[b]pyrrol-3-yl]methylidene]-1H-indol-2-one
SMILESCN(C)c1nc2cccccc-2c1C=C1C(=O)Nc2ccccc21
InChIInChI=1S/C20H17N3O/c1-23(2)19-15(13-8-4-3-5-10-17(13)21-19)12-16-14-9-6-7-11-18(14)22-20(16)24/h3-12H,1-2H3,(H,22,24)
InChIKeyFSUYBOXLMZWVGF-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.75
Rot. Bonds2

About 3-[[2-(dimethylamino)cyclohepta[b]pyrrol-3-yl]methylidene]-1H-indol-2-one

3-[[2-(dimethylamino)cyclohepta[b]pyrrol-3-yl]methylidene]-1H-indol-2-one (PubChem CID 68580876) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)cyclohepta[b]pyrrol-3-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[[2-(dimethylamino)cyclohepta[b]pyrrol-3-yl]methylidene]-1H-indol-2-one
PubChem CID68580876
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name3-[[2-(dimethylamino)cyclohepta[b]pyrrol-3-yl]methylidene]-1H-indol-2-one
SMILESCN(C)c1nc2cccccc-2c1C=C1C(=O)Nc2ccccc21
InChIInChI=1S/C20H17N3O/c1-23(2)19-15(13-8-4-3-5-10-17(13)21-19)12-16-14-9-6-7-11-18(14)22-20(16)24/h3-12H,1-2H3,(H,22,24)
InChIKeyFSUYBOXLMZWVGF-UHFFFAOYSA-N
XLogP3.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
CID 58923998
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 17465083
3-[[2-chloro-4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 2741418
3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one
CID 75299455
3-(azulen-1-ylmethylidene)-1H-indol-2-one
CID 57390079
(3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one
CID 171989370
(3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one
CID 69304942
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-1H-indol-2-one
CID 964069
(3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one
CID 137292411
CID 57369962
CID 57369962

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)cyclohepta[b]pyrrol-3-yl]methylidene]-1H-indol-2-one?
The IUPAC name of 3-[[2-(dimethylamino)cyclohepta[b]pyrrol-3-yl]methylidene]-1H-indol-2-one (CID 68580876) is 3-[[2-(dimethylamino)cyclohepta[b]pyrrol-3-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[[2-(dimethylamino)cyclohepta[b]pyrrol-3-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[[2-(dimethylamino)cyclohepta[b]pyrrol-3-yl]methylidene]-1H-indol-2-one is CN(C)c1nc2cccccc-2c1C=C1C(=O)Nc2ccccc21.
What is the InChIKey of 3-[[2-(dimethylamino)cyclohepta[b]pyrrol-3-yl]methylidene]-1H-indol-2-one?
The InChIKey is FSUYBOXLMZWVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-23(2)19-15(13-8-4-3-5-10-17(13)21-19)12-16-14-9-6-7-11-18(14)22-20(16)24/h3-12H,1-2H3,(H,22,24).
What are the key properties of 3-[[2-(dimethylamino)cyclohepta[b]pyrrol-3-yl]methylidene]-1H-indol-2-one?
3-[[2-(dimethylamino)cyclohepta[b]pyrrol-3-yl]methylidene]-1H-indol-2-one has a molecular weight of 315.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)cyclohepta[b]pyrrol-3-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 68580876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).