1,2-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizine-1-carboxamide

C11H18N2O2 — CID 90303177

IUPAC1,2-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizine-1-carboxamide
SMILESCC1C(=O)N2CCCCC2C1(C)C(N)=O
InChIInChI=1S/C11H18N2O2/c1-7-9(14)13-6-4-3-5-8(13)11(7,2)10(12)15/h7-8H,3-6H2,1-2H3,(H2,12,15)
InChIKeyDTJWDXQMUYXWQD-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.51
Rot. Bonds1

About 1,2-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizine-1-carboxamide

1,2-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizine-1-carboxamide (PubChem CID 90303177) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1,2-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizine-1-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizine-1-carboxamide
PubChem CID90303177
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1,2-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizine-1-carboxamide
SMILESCC1C(=O)N2CCCCC2C1(C)C(N)=O
InChIInChI=1S/C11H18N2O2/c1-7-9(14)13-6-4-3-5-8(13)11(7,2)10(12)15/h7-8H,3-6H2,1-2H3,(H2,12,15)
InChIKeyDTJWDXQMUYXWQD-UHFFFAOYSA-N
XLogP0.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizine-1-carboxamide?
The IUPAC name of 1,2-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizine-1-carboxamide (CID 90303177) is 1,2-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizine-1-carboxamide.
What is the SMILES notation for 1,2-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizine-1-carboxamide?
The canonical SMILES for 1,2-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizine-1-carboxamide is CC1C(=O)N2CCCCC2C1(C)C(N)=O.
What is the InChIKey of 1,2-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizine-1-carboxamide?
The InChIKey is DTJWDXQMUYXWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7-9(14)13-6-4-3-5-8(13)11(7,2)10(12)15/h7-8H,3-6H2,1-2H3,(H2,12,15).
What are the key properties of 1,2-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizine-1-carboxamide?
1,2-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizine-1-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizine-1-carboxamide is sourced from PubChem (CID 90303177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).