4-methyl-1,3,3a,7a-tetrahydroindol-2-one

C9H11NO — CID 59419375

IUPAC4-methyl-1,3,3a,7a-tetrahydroindol-2-one
SMILESCC1=CC=CC2NC(=O)CC12
InChIInChI=1S/C9H11NO/c1-6-3-2-4-8-7(6)5-9(11)10-8/h2-4,7-8H,5H2,1H3,(H,10,11)
InChIKeyZHGXWAVBPFRPEE-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.01
Rot. Bonds

About 4-methyl-1,3,3a,7a-tetrahydroindol-2-one

4-methyl-1,3,3a,7a-tetrahydroindol-2-one (PubChem CID 59419375) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4-methyl-1,3,3a,7a-tetrahydroindol-2-one.

Molecular Properties

Compound Name4-methyl-1,3,3a,7a-tetrahydroindol-2-one
PubChem CID59419375
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4-methyl-1,3,3a,7a-tetrahydroindol-2-one
SMILESCC1=CC=CC2NC(=O)CC12
InChIInChI=1S/C9H11NO/c1-6-3-2-4-8-7(6)5-9(11)10-8/h2-4,7-8H,5H2,1H3,(H,10,11)
InChIKeyZHGXWAVBPFRPEE-UHFFFAOYSA-N
XLogP1.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3,3a,7a-tetrahydroindol-2-one?
The IUPAC name of 4-methyl-1,3,3a,7a-tetrahydroindol-2-one (CID 59419375) is 4-methyl-1,3,3a,7a-tetrahydroindol-2-one.
What is the SMILES notation for 4-methyl-1,3,3a,7a-tetrahydroindol-2-one?
The canonical SMILES for 4-methyl-1,3,3a,7a-tetrahydroindol-2-one is CC1=CC=CC2NC(=O)CC12.
What is the InChIKey of 4-methyl-1,3,3a,7a-tetrahydroindol-2-one?
The InChIKey is ZHGXWAVBPFRPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6-3-2-4-8-7(6)5-9(11)10-8/h2-4,7-8H,5H2,1H3,(H,10,11).
What are the key properties of 4-methyl-1,3,3a,7a-tetrahydroindol-2-one?
4-methyl-1,3,3a,7a-tetrahydroindol-2-one has a molecular weight of 149.19 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3,3a,7a-tetrahydroindol-2-one is sourced from PubChem (CID 59419375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).