1-(3-aminopropyl)-7-methylindole-2,3-dione

C12H14N2O2 — CID 84622799

IUPAC1-(3-aminopropyl)-7-methylindole-2,3-dione
SMILESCc1cccc2c1N(CCCN)C(=O)C2=O
InChIInChI=1S/C12H14N2O2/c1-8-4-2-5-9-10(8)14(7-3-6-13)12(16)11(9)15/h2,4-5H,3,6-7,13H2,1H3
InChIKeyNCSOCNKWAWWPHN-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.87
Rot. Bonds3

About 1-(3-aminopropyl)-7-methylindole-2,3-dione

1-(3-aminopropyl)-7-methylindole-2,3-dione (PubChem CID 84622799) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(3-aminopropyl)-7-methylindole-2,3-dione.

Molecular Properties

Compound Name1-(3-aminopropyl)-7-methylindole-2,3-dione
PubChem CID84622799
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(3-aminopropyl)-7-methylindole-2,3-dione
SMILESCc1cccc2c1N(CCCN)C(=O)C2=O
InChIInChI=1S/C12H14N2O2/c1-8-4-2-5-9-10(8)14(7-3-6-13)12(16)11(9)15/h2,4-5H,3,6-7,13H2,1H3
InChIKeyNCSOCNKWAWWPHN-UHFFFAOYSA-N
XLogP0.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-hydroxyhexyl)-7-methylindole-2,3-dione
CID 107704083
4-(7-methyl-2,3-dioxoindol-1-yl)butanoic acid
CID 61147180
5-(7-methyl-2,3-dioxoindol-1-yl)pentanenitrile
CID 54965736
1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione
CID 61387911
1-(2-methoxyethyl)-7-methylindole-2,3-dione
CID 61146079
1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione
CID 103410222
7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione
CID 3157311
3-(7-methyl-2,3-dioxoindol-1-yl)propanoic acid
CID 61146875
1-(3-aminopropyl)-5-methoxy-7-methylindole-2,3-dione
CID 84633041
1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione
CID 61387891
1-[2-(tert-butylamino)ethyl]-7-methylindole-2,3-dione
CID 61387866
methyl 3-(7-methyl-2,3-dioxoindol-1-yl)propanoate
CID 61146876

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-7-methylindole-2,3-dione?
The IUPAC name of 1-(3-aminopropyl)-7-methylindole-2,3-dione (CID 84622799) is 1-(3-aminopropyl)-7-methylindole-2,3-dione.
What is the SMILES notation for 1-(3-aminopropyl)-7-methylindole-2,3-dione?
The canonical SMILES for 1-(3-aminopropyl)-7-methylindole-2,3-dione is Cc1cccc2c1N(CCCN)C(=O)C2=O.
What is the InChIKey of 1-(3-aminopropyl)-7-methylindole-2,3-dione?
The InChIKey is NCSOCNKWAWWPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-4-2-5-9-10(8)14(7-3-6-13)12(16)11(9)15/h2,4-5H,3,6-7,13H2,1H3.
What are the key properties of 1-(3-aminopropyl)-7-methylindole-2,3-dione?
1-(3-aminopropyl)-7-methylindole-2,3-dione has a molecular weight of 218.26 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-7-methylindole-2,3-dione is sourced from PubChem (CID 84622799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).