7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one

C9H13NO — CID 51031307

IUPAC7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
SMILESCC1=CC(=O)N2CCCC2C1
InChIInChI=1S/C9H13NO/c1-7-5-8-3-2-4-10(8)9(11)6-7/h6,8H,2-5H2,1H3
InChIKeyNLIIMVDTTKOITE-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.33
Rot. Bonds

About 7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one

7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one (PubChem CID 51031307) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
PubChem CID51031307
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
SMILESCC1=CC(=O)N2CCCC2C1
InChIInChI=1S/C9H13NO/c1-7-5-8-3-2-4-10(8)9(11)6-7/h6,8H,2-5H2,1H3
InChIKeyNLIIMVDTTKOITE-UHFFFAOYSA-N
XLogP1.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The IUPAC name of 7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one (CID 51031307) is 7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one.
What is the SMILES notation for 7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The canonical SMILES for 7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one is CC1=CC(=O)N2CCCC2C1.
What is the InChIKey of 7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The InChIKey is NLIIMVDTTKOITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-5-8-3-2-4-10(8)9(11)6-7/h6,8H,2-5H2,1H3.
What are the key properties of 7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one has a molecular weight of 151.21 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one is sourced from PubChem (CID 51031307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).