7-[(E)-3-aminoprop-1-enyl]-1,5-dimethyl-3H-indol-2-one

C13H16N2O — CID 117308369

IUPAC7-[(E)-3-aminoprop-1-enyl]-1,5-dimethyl-3H-indol-2-one
SMILESCc1cc(/C=C/CN)c2c(c1)CC(=O)N2C
InChIInChI=1S/C13H16N2O/c1-9-6-10(4-3-5-14)13-11(7-9)8-12(16)15(13)2/h3-4,6-7H,5,8,14H2,1-2H3/b4-3+
InChIKeyLNNSFXRBZVFKPL-ONEGZZNKSA-N
MW216.28 g/mol
LogP1.49
Rot. Bonds2

About 7-[(E)-3-aminoprop-1-enyl]-1,5-dimethyl-3H-indol-2-one

7-[(E)-3-aminoprop-1-enyl]-1,5-dimethyl-3H-indol-2-one (PubChem CID 117308369) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 7-[(E)-3-aminoprop-1-enyl]-1,5-dimethyl-3H-indol-2-one.

Molecular Properties

Compound Name7-[(E)-3-aminoprop-1-enyl]-1,5-dimethyl-3H-indol-2-one
PubChem CID117308369
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name7-[(E)-3-aminoprop-1-enyl]-1,5-dimethyl-3H-indol-2-one
SMILESCc1cc(/C=C/CN)c2c(c1)CC(=O)N2C
InChIInChI=1S/C13H16N2O/c1-9-6-10(4-3-5-14)13-11(7-9)8-12(16)15(13)2/h3-4,6-7H,5,8,14H2,1-2H3/b4-3+
InChIKeyLNNSFXRBZVFKPL-ONEGZZNKSA-N
XLogP1.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(E)-3-aminoprop-1-enyl]-1,5-dimethyl-3H-indol-2-one?
The IUPAC name of 7-[(E)-3-aminoprop-1-enyl]-1,5-dimethyl-3H-indol-2-one (CID 117308369) is 7-[(E)-3-aminoprop-1-enyl]-1,5-dimethyl-3H-indol-2-one.
What is the SMILES notation for 7-[(E)-3-aminoprop-1-enyl]-1,5-dimethyl-3H-indol-2-one?
The canonical SMILES for 7-[(E)-3-aminoprop-1-enyl]-1,5-dimethyl-3H-indol-2-one is Cc1cc(/C=C/CN)c2c(c1)CC(=O)N2C.
What is the InChIKey of 7-[(E)-3-aminoprop-1-enyl]-1,5-dimethyl-3H-indol-2-one?
The InChIKey is LNNSFXRBZVFKPL-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-6-10(4-3-5-14)13-11(7-9)8-12(16)15(13)2/h3-4,6-7H,5,8,14H2,1-2H3/b4-3+.
What are the key properties of 7-[(E)-3-aminoprop-1-enyl]-1,5-dimethyl-3H-indol-2-one?
7-[(E)-3-aminoprop-1-enyl]-1,5-dimethyl-3H-indol-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-3-aminoprop-1-enyl]-1,5-dimethyl-3H-indol-2-one is sourced from PubChem (CID 117308369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).