5-(aminomethyl)-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one

C18H17N3O2 — CID 174167904

IUPAC5-(aminomethyl)-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
SMILESC=C1CCC(N2C(=O)c3ccc(CN)c4cccc2c34)C(=O)N1
InChIInChI=1S/C18H17N3O2/c1-10-5-8-15(17(22)20-10)21-14-4-2-3-12-11(9-19)6-7-13(16(12)14)18(21)23/h2-4,6-7,15H,1,5,8-9,19H2,(H,20,22)
InChIKeyHLGULGSKTOXYFS-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.05
Rot. Bonds2

About 5-(aminomethyl)-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one

5-(aminomethyl)-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one (PubChem CID 174167904) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-(aminomethyl)-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
PubChem CID174167904
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name5-(aminomethyl)-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
SMILESC=C1CCC(N2C(=O)c3ccc(CN)c4cccc2c34)C(=O)N1
InChIInChI=1S/C18H17N3O2/c1-10-5-8-15(17(22)20-10)21-14-4-2-3-12-11(9-19)6-7-13(16(12)14)18(21)23/h2-4,6-7,15H,1,5,8-9,19H2,(H,20,22)
InChIKeyHLGULGSKTOXYFS-UHFFFAOYSA-N
XLogP2.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
CID 174167936
5-bromo-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
CID 174167920
3-[5-[(1-chloroazetidin-3-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 169102169
3-(2-oxo-5-sulfanylbenzo[cd]indol-1-yl)piperidine-2,6-dione
CID 163258587
3-[5-[[(2-fluoro-5-methylphenyl)methylamino]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163259378
4-(azetidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 177002953
4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]benzaldehyde
CID 155195102
ethyl 3-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-5-yl]methyl]benzoate
CID 163259412
4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 145202026
tert-butyl 4-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 167599224
3-(6-methyl-1,3-dimethylidenebenzo[de]isoquinolin-2-yl)-6-methylidenepiperidin-2-one
CID 171106473
5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 118527125

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one?
The IUPAC name of 5-(aminomethyl)-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one (CID 174167904) is 5-(aminomethyl)-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one.
What is the SMILES notation for 5-(aminomethyl)-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one?
The canonical SMILES for 5-(aminomethyl)-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one is C=C1CCC(N2C(=O)c3ccc(CN)c4cccc2c34)C(=O)N1.
What is the InChIKey of 5-(aminomethyl)-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one?
The InChIKey is HLGULGSKTOXYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-10-5-8-15(17(22)20-10)21-14-4-2-3-12-11(9-19)6-7-13(16(12)14)18(21)23/h2-4,6-7,15H,1,5,8-9,19H2,(H,20,22).
What are the key properties of 5-(aminomethyl)-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one?
5-(aminomethyl)-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one has a molecular weight of 307.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one is sourced from PubChem (CID 174167904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).