(3Z)-5-methoxy-1-methyl-3-(1-phenylethylidene)indol-2-one

C18H17NO2 — CID 101469005

IUPAC(3Z)-5-methoxy-1-methyl-3-(1-phenylethylidene)indol-2-one
SMILESCOc1ccc2c(c1)/C(=C(\C)c1ccccc1)C(=O)N2C
InChIInChI=1S/C18H17NO2/c1-12(13-7-5-4-6-8-13)17-15-11-14(21-3)9-10-16(15)19(2)18(17)20/h4-11H,1-3H3/b17-12-
InChIKeyPTWLBPQEIQPNBL-ATVHPVEESA-N
MW279.34 g/mol
LogP3.60
Rot. Bonds2

About (3Z)-5-methoxy-1-methyl-3-(1-phenylethylidene)indol-2-one

(3Z)-5-methoxy-1-methyl-3-(1-phenylethylidene)indol-2-one (PubChem CID 101469005) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3Z)-5-methoxy-1-methyl-3-(1-phenylethylidene)indol-2-one.

Molecular Properties

Compound Name(3Z)-5-methoxy-1-methyl-3-(1-phenylethylidene)indol-2-one
PubChem CID101469005
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(3Z)-5-methoxy-1-methyl-3-(1-phenylethylidene)indol-2-one
SMILESCOc1ccc2c(c1)/C(=C(\C)c1ccccc1)C(=O)N2C
InChIInChI=1S/C18H17NO2/c1-12(13-7-5-4-6-8-13)17-15-11-14(21-3)9-10-16(15)19(2)18(17)20/h4-11H,1-3H3/b17-12-
InChIKeyPTWLBPQEIQPNBL-ATVHPVEESA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-5-methoxy-3-[(4-methoxyphenyl)-(2-nitrophenyl)methylidene]-1-methylindol-2-one
CID 16663995
(3Z)-5-acetyl-3-[ethoxy(phenyl)methylidene]-1-methylindol-2-one
CID 143103457
7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 58983041
2,5-dimethoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one
CID 102364443
(3Z)-3-[(4-methoxyphenyl)-(2-nitrophenyl)methylidene]-1-methyl-5-nitroindol-2-one
CID 102298726
5-methoxy-1-(2-phenylethyl)indole-2,3-dione
CID 61355458
(3Z)-1-methyl-3-[phenyl-(2,4,6-trimethylphenyl)methylidene]indol-2-one
CID 177457859
N-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide
CID 171636455
3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one
CID 139255146
[5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone
CID 132521712
2-benzoyl-5-methoxyindene-1,3-dione
CID 122369760
2-[(3E)-2-oxo-3-(1-phenylethylidene)indol-1-yl]acetic acid
CID 58201658

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methoxy-1-methyl-3-(1-phenylethylidene)indol-2-one?
The IUPAC name of (3Z)-5-methoxy-1-methyl-3-(1-phenylethylidene)indol-2-one (CID 101469005) is (3Z)-5-methoxy-1-methyl-3-(1-phenylethylidene)indol-2-one.
What is the SMILES notation for (3Z)-5-methoxy-1-methyl-3-(1-phenylethylidene)indol-2-one?
The canonical SMILES for (3Z)-5-methoxy-1-methyl-3-(1-phenylethylidene)indol-2-one is COc1ccc2c(c1)/C(=C(\C)c1ccccc1)C(=O)N2C.
What is the InChIKey of (3Z)-5-methoxy-1-methyl-3-(1-phenylethylidene)indol-2-one?
The InChIKey is PTWLBPQEIQPNBL-ATVHPVEESA-N. The full InChI is InChI=1S/C18H17NO2/c1-12(13-7-5-4-6-8-13)17-15-11-14(21-3)9-10-16(15)19(2)18(17)20/h4-11H,1-3H3/b17-12-.
What are the key properties of (3Z)-5-methoxy-1-methyl-3-(1-phenylethylidene)indol-2-one?
(3Z)-5-methoxy-1-methyl-3-(1-phenylethylidene)indol-2-one has a molecular weight of 279.34 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methoxy-1-methyl-3-(1-phenylethylidene)indol-2-one is sourced from PubChem (CID 101469005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).