(3E)-5-amino-3-[[4-(diethylamino)phenyl]methylidene]-1H-indol-2-one

C19H21N3O — CID 46233145

IUPAC(3E)-5-amino-3-[[4-(diethylamino)phenyl]methylidene]-1H-indol-2-one
SMILESCCN(CC)c1ccc(/C=C2/C(=O)Nc3ccc(N)cc32)cc1
InChIInChI=1S/C19H21N3O/c1-3-22(4-2)15-8-5-13(6-9-15)11-17-16-12-14(20)7-10-18(16)21-19(17)23/h5-12H,3-4,20H2,1-2H3,(H,21,23)/b17-11+
InChIKeyJNHVMHWMHFDUIC-GZTJUZNOSA-N
MW307.40 g/mol
LogP3.61
Rot. Bonds4

About (3E)-5-amino-3-[[4-(diethylamino)phenyl]methylidene]-1H-indol-2-one

(3E)-5-amino-3-[[4-(diethylamino)phenyl]methylidene]-1H-indol-2-one (PubChem CID 46233145) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is (3E)-5-amino-3-[[4-(diethylamino)phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-amino-3-[[4-(diethylamino)phenyl]methylidene]-1H-indol-2-one
PubChem CID46233145
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name(3E)-5-amino-3-[[4-(diethylamino)phenyl]methylidene]-1H-indol-2-one
SMILESCCN(CC)c1ccc(/C=C2/C(=O)Nc3ccc(N)cc32)cc1
InChIInChI=1S/C19H21N3O/c1-3-22(4-2)15-8-5-13(6-9-15)11-17-16-12-14(20)7-10-18(16)21-19(17)23/h5-12H,3-4,20H2,1-2H3,(H,21,23)/b17-11+
InChIKeyJNHVMHWMHFDUIC-GZTJUZNOSA-N
XLogP3.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

Ropinirole
CID 5095
Ropinirole Hydrochloride
CID 68727
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
3-Benzylideneindolin-2-one
CID 1551501
(3E)-3-(3-methylbut-2-enylidene)-1H-indol-2-one
CID 5319526
3-(4-Dimethylamino-naphthalen-1-ylmethylene)-1,3-dihydro-indol-2-one
CID 9839842
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
CID 682204
3-[4-(Dimethylamino)benzylidene]indolin-2-one
CID 5353593
(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 9798466
2-[4-(dimethylamino)phenyl]-3H-isoindol-1-one
CID 11054136
5-(Dimethylamino)-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione
CID 25270867

Frequently Asked Questions

What is the IUPAC name of (3E)-5-amino-3-[[4-(diethylamino)phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-amino-3-[[4-(diethylamino)phenyl]methylidene]-1H-indol-2-one (CID 46233145) is (3E)-5-amino-3-[[4-(diethylamino)phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-amino-3-[[4-(diethylamino)phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-amino-3-[[4-(diethylamino)phenyl]methylidene]-1H-indol-2-one is CCN(CC)c1ccc(/C=C2/C(=O)Nc3ccc(N)cc32)cc1.
What is the InChIKey of (3E)-5-amino-3-[[4-(diethylamino)phenyl]methylidene]-1H-indol-2-one?
The InChIKey is JNHVMHWMHFDUIC-GZTJUZNOSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-22(4-2)15-8-5-13(6-9-15)11-17-16-12-14(20)7-10-18(16)21-19(17)23/h5-12H,3-4,20H2,1-2H3,(H,21,23)/b17-11+.
What are the key properties of (3E)-5-amino-3-[[4-(diethylamino)phenyl]methylidene]-1H-indol-2-one?
(3E)-5-amino-3-[[4-(diethylamino)phenyl]methylidene]-1H-indol-2-one has a molecular weight of 307.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-amino-3-[[4-(diethylamino)phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 46233145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).