6-(dimethylamino)-3-(hydroxymethyl)-7,8-dimethyl-2,3-dihydro-1H-indolizin-5-one

C13H20N2O2 — CID 59975142

IUPAC6-(dimethylamino)-3-(hydroxymethyl)-7,8-dimethyl-2,3-dihydro-1H-indolizin-5-one
SMILESCc1c(C)c2n(c(=O)c1N(C)C)C(CO)CC2
InChIInChI=1S/C13H20N2O2/c1-8-9(2)12(14(3)4)13(17)15-10(7-16)5-6-11(8)15/h10,16H,5-7H2,1-4H3
InChIKeyYMFMNUPDTCJIHA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.01
Rot. Bonds2

About 6-(dimethylamino)-3-(hydroxymethyl)-7,8-dimethyl-2,3-dihydro-1H-indolizin-5-one

6-(dimethylamino)-3-(hydroxymethyl)-7,8-dimethyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 59975142) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-(dimethylamino)-3-(hydroxymethyl)-7,8-dimethyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name6-(dimethylamino)-3-(hydroxymethyl)-7,8-dimethyl-2,3-dihydro-1H-indolizin-5-one
PubChem CID59975142
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name6-(dimethylamino)-3-(hydroxymethyl)-7,8-dimethyl-2,3-dihydro-1H-indolizin-5-one
SMILESCc1c(C)c2n(c(=O)c1N(C)C)C(CO)CC2
InChIInChI=1S/C13H20N2O2/c1-8-9(2)12(14(3)4)13(17)15-10(7-16)5-6-11(8)15/h10,16H,5-7H2,1-4H3
InChIKeyYMFMNUPDTCJIHA-UHFFFAOYSA-N
XLogP1.01
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-3-(hydroxymethyl)-7,8-dimethyl-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 6-(dimethylamino)-3-(hydroxymethyl)-7,8-dimethyl-2,3-dihydro-1H-indolizin-5-one (CID 59975142) is 6-(dimethylamino)-3-(hydroxymethyl)-7,8-dimethyl-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 6-(dimethylamino)-3-(hydroxymethyl)-7,8-dimethyl-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 6-(dimethylamino)-3-(hydroxymethyl)-7,8-dimethyl-2,3-dihydro-1H-indolizin-5-one is Cc1c(C)c2n(c(=O)c1N(C)C)C(CO)CC2.
What is the InChIKey of 6-(dimethylamino)-3-(hydroxymethyl)-7,8-dimethyl-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is YMFMNUPDTCJIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8-9(2)12(14(3)4)13(17)15-10(7-16)5-6-11(8)15/h10,16H,5-7H2,1-4H3.
What are the key properties of 6-(dimethylamino)-3-(hydroxymethyl)-7,8-dimethyl-2,3-dihydro-1H-indolizin-5-one?
6-(dimethylamino)-3-(hydroxymethyl)-7,8-dimethyl-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 236.31 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-3-(hydroxymethyl)-7,8-dimethyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 59975142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).