5-[(E)-6-amino-2-methylhex-3-en-3-yl]-1-methyl-3H-indol-2-one

C16H22N2O — CID 82300689

IUPAC5-[(E)-6-amino-2-methylhex-3-en-3-yl]-1-methyl-3H-indol-2-one
SMILESCC(C)/C(=C\CCN)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C16H22N2O/c1-11(2)14(5-4-8-17)12-6-7-15-13(9-12)10-16(19)18(15)3/h5-7,9,11H,4,8,10,17H2,1-3H3/b14-5+
InChIKeyUQHLSQRNGANRHW-LHHJGKSTSA-N
MW258.37 g/mol
LogP2.59
Rot. Bonds4

About 5-[(E)-6-amino-2-methylhex-3-en-3-yl]-1-methyl-3H-indol-2-one

5-[(E)-6-amino-2-methylhex-3-en-3-yl]-1-methyl-3H-indol-2-one (PubChem CID 82300689) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-[(E)-6-amino-2-methylhex-3-en-3-yl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[(E)-6-amino-2-methylhex-3-en-3-yl]-1-methyl-3H-indol-2-one
PubChem CID82300689
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name5-[(E)-6-amino-2-methylhex-3-en-3-yl]-1-methyl-3H-indol-2-one
SMILESCC(C)/C(=C\CCN)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C16H22N2O/c1-11(2)14(5-4-8-17)12-6-7-15-13(9-12)10-16(19)18(15)3/h5-7,9,11H,4,8,10,17H2,1-3H3/b14-5+
InChIKeyUQHLSQRNGANRHW-LHHJGKSTSA-N
XLogP2.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-6-amino-2-methylhex-3-en-3-yl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[(E)-6-amino-2-methylhex-3-en-3-yl]-1-methyl-3H-indol-2-one (CID 82300689) is 5-[(E)-6-amino-2-methylhex-3-en-3-yl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[(E)-6-amino-2-methylhex-3-en-3-yl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[(E)-6-amino-2-methylhex-3-en-3-yl]-1-methyl-3H-indol-2-one is CC(C)/C(=C\CCN)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 5-[(E)-6-amino-2-methylhex-3-en-3-yl]-1-methyl-3H-indol-2-one?
The InChIKey is UQHLSQRNGANRHW-LHHJGKSTSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)14(5-4-8-17)12-6-7-15-13(9-12)10-16(19)18(15)3/h5-7,9,11H,4,8,10,17H2,1-3H3/b14-5+.
What are the key properties of 5-[(E)-6-amino-2-methylhex-3-en-3-yl]-1-methyl-3H-indol-2-one?
5-[(E)-6-amino-2-methylhex-3-en-3-yl]-1-methyl-3H-indol-2-one has a molecular weight of 258.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-6-amino-2-methylhex-3-en-3-yl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 82300689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).