5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione

C16H20N2O3 — CID 103072193

IUPAC5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
SMILESC=C(CNC(C)C)CN1C(=O)C(=O)c2cc(OC)ccc21
InChIInChI=1S/C16H20N2O3/c1-10(2)17-8-11(3)9-18-14-6-5-12(21-4)7-13(14)15(19)16(18)20/h5-7,10,17H,3,8-9H2,1-2,4H3
InChIKeyPLDKNONXSZXAFB-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.78
Rot. Bonds6

About 5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione

5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione (PubChem CID 103072193) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione.

Molecular Properties

Compound Name5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
PubChem CID103072193
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
SMILESC=C(CNC(C)C)CN1C(=O)C(=O)c2cc(OC)ccc21
InChIInChI=1S/C16H20N2O3/c1-10(2)17-8-11(3)9-18-14-6-5-12(21-4)7-13(14)15(19)16(18)20/h5-7,10,17H,3,8-9H2,1-2,4H3
InChIKeyPLDKNONXSZXAFB-UHFFFAOYSA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103071684
2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61355137
1-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxyindole-2,3-dione
CID 103072132
1-(3,3-dimethyl-2-oxobutyl)-5-methoxyindole-2,3-dione
CID 62023855
N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61355136
7-chloro-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072176
ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate
CID 61354804
1-[2-(chloromethyl)prop-2-enyl]-6-methoxyindole-2,3-dione
CID 103065739
N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61356119
5-methoxy-1-(methoxymethyl)indole-2,3-dione
CID 129354242
N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61485568
2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61357088

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione?
The IUPAC name of 5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione (CID 103072193) is 5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione.
What is the SMILES notation for 5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione?
The canonical SMILES for 5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione is C=C(CNC(C)C)CN1C(=O)C(=O)c2cc(OC)ccc21.
What is the InChIKey of 5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione?
The InChIKey is PLDKNONXSZXAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)17-8-11(3)9-18-14-6-5-12(21-4)7-13(14)15(19)16(18)20/h5-7,10,17H,3,8-9H2,1-2,4H3.
What are the key properties of 5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione?
5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione has a molecular weight of 288.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione is sourced from PubChem (CID 103072193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).