3a-methyl-3,4,5,6-tetrahydro-1H-indol-2-one

C9H13NO — CID 11182698

IUPAC3a-methyl-3,4,5,6-tetrahydro-1H-indol-2-one
SMILESCC12CCCC=C1NC(=O)C2
InChIInChI=1S/C9H13NO/c1-9-5-3-2-4-7(9)10-8(11)6-9/h4H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyIDUZSYNJXHTKPX-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.58
Rot. Bonds

About 3a-methyl-3,4,5,6-tetrahydro-1H-indol-2-one

3a-methyl-3,4,5,6-tetrahydro-1H-indol-2-one (PubChem CID 11182698) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3a-methyl-3,4,5,6-tetrahydro-1H-indol-2-one.

Molecular Properties

Compound Name3a-methyl-3,4,5,6-tetrahydro-1H-indol-2-one
PubChem CID11182698
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3a-methyl-3,4,5,6-tetrahydro-1H-indol-2-one
SMILESCC12CCCC=C1NC(=O)C2
InChIInChI=1S/C9H13NO/c1-9-5-3-2-4-7(9)10-8(11)6-9/h4H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyIDUZSYNJXHTKPX-UHFFFAOYSA-N
XLogP1.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(4aR)-4a-methyl-1,3,4,5,6,7-hexahydronaphthalen-2-one
CID 102096032
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5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-naphthalen-2-one
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CID 11644982
(7aS)-7a-methyl-4,5,6,7-tetrahydro-1H-inden-2-one
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Frequently Asked Questions

What is the IUPAC name of 3a-methyl-3,4,5,6-tetrahydro-1H-indol-2-one?
The IUPAC name of 3a-methyl-3,4,5,6-tetrahydro-1H-indol-2-one (CID 11182698) is 3a-methyl-3,4,5,6-tetrahydro-1H-indol-2-one.
What is the SMILES notation for 3a-methyl-3,4,5,6-tetrahydro-1H-indol-2-one?
The canonical SMILES for 3a-methyl-3,4,5,6-tetrahydro-1H-indol-2-one is CC12CCCC=C1NC(=O)C2.
What is the InChIKey of 3a-methyl-3,4,5,6-tetrahydro-1H-indol-2-one?
The InChIKey is IDUZSYNJXHTKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-9-5-3-2-4-7(9)10-8(11)6-9/h4H,2-3,5-6H2,1H3,(H,10,11).
What are the key properties of 3a-methyl-3,4,5,6-tetrahydro-1H-indol-2-one?
3a-methyl-3,4,5,6-tetrahydro-1H-indol-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methyl-3,4,5,6-tetrahydro-1H-indol-2-one is sourced from PubChem (CID 11182698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).