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

C16H20N2O2 — CID 103071684

IUPAC5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
SMILESC=C(CNC(C)C)CN1C(=O)C(=O)c2cc(C)ccc21
InChIInChI=1S/C16H20N2O2/c1-10(2)17-8-12(4)9-18-14-6-5-11(3)7-13(14)15(19)16(18)20/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyBOXWRSNFNLSWIY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.08
Rot. Bonds5

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

5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione (PubChem CID 103071684) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione.

Molecular Properties

Compound Name5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
PubChem CID103071684
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
SMILESC=C(CNC(C)C)CN1C(=O)C(=O)c2cc(C)ccc21
InChIInChI=1S/C16H20N2O2/c1-10(2)17-8-12(4)9-18-14-6-5-11(3)7-13(14)15(19)16(18)20/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyBOXWRSNFNLSWIY-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072193
1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione
CID 103071681
7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072216
7-chloro-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072176
5-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 103071645
2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide
CID 61490183
1-(2-cyclopropyl-2-oxoethyl)-5-methylindole-2,3-dione
CID 63914584
N-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61485983
1-[2-(ethylaminomethyl)prop-2-enyl]-5-nitroindole-2,3-dione
CID 103071868
5-methyl-1-(2-methylpentyl)indole-2,3-dione
CID 55055195
3,4-dimethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione
CID 103072679
1-(3-aminopropyl)-5-methylindole-2,3-dione
CID 84622797

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione?
The IUPAC name of 5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione (CID 103071684) is 5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione.
What is the SMILES notation for 5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione?
The canonical SMILES for 5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione is C=C(CNC(C)C)CN1C(=O)C(=O)c2cc(C)ccc21.
What is the InChIKey of 5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione?
The InChIKey is BOXWRSNFNLSWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(2)17-8-12(4)9-18-14-6-5-11(3)7-13(14)15(19)16(18)20/h5-7,10,17H,4,8-9H2,1-3H3.
What are the key properties of 5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione?
5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione has a molecular weight of 272.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione is sourced from PubChem (CID 103071684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).