(3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]indol-2-one

C24H22N2O — CID 58795397

IUPAC(3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]indol-2-one
SMILESCN(C)c1ccc(/C=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C24H22N2O/c1-25(2)20-14-12-18(13-15-20)16-22-21-10-6-7-11-23(21)26(24(22)27)17-19-8-4-3-5-9-19/h3-16H,17H2,1-2H3/b22-16-
InChIKeyUEYZFAHSORUDCD-JWGURIENSA-N
MW354.45 g/mol
LogP4.84
Rot. Bonds4

About (3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]indol-2-one

(3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]indol-2-one (PubChem CID 58795397) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is (3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]indol-2-one.

Molecular Properties

Compound Name(3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]indol-2-one
PubChem CID58795397
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name(3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]indol-2-one
SMILESCN(C)c1ccc(/C=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C24H22N2O/c1-25(2)20-14-12-18(13-15-20)16-22-21-10-6-7-11-23(21)26(24(22)27)17-19-8-4-3-5-9-19/h3-16H,17H2,1-2H3/b22-16-
InChIKeyUEYZFAHSORUDCD-JWGURIENSA-N
XLogP4.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]indol-2-one?
The IUPAC name of (3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]indol-2-one (CID 58795397) is (3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]indol-2-one.
What is the SMILES notation for (3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]indol-2-one?
The canonical SMILES for (3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]indol-2-one is CN(C)c1ccc(/C=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1.
What is the InChIKey of (3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]indol-2-one?
The InChIKey is UEYZFAHSORUDCD-JWGURIENSA-N. The full InChI is InChI=1S/C24H22N2O/c1-25(2)20-14-12-18(13-15-20)16-22-21-10-6-7-11-23(21)26(24(22)27)17-19-8-4-3-5-9-19/h3-16H,17H2,1-2H3/b22-16-.
What are the key properties of (3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]indol-2-one?
(3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]indol-2-one has a molecular weight of 354.45 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]indol-2-one is sourced from PubChem (CID 58795397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).