2-ethyl-3-propan-2-yl-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one

C12H20N2O — CID 129059147

IUPAC2-ethyl-3-propan-2-yl-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCCC1=C(C(C)C)C(=O)N2CCCC2N1
InChIInChI=1S/C12H20N2O/c1-4-9-11(8(2)3)12(15)14-7-5-6-10(14)13-9/h8,10,13H,4-7H2,1-3H3
InChIKeyNNEZQCHFYDZWRV-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.86
Rot. Bonds2

About 2-ethyl-3-propan-2-yl-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one

2-ethyl-3-propan-2-yl-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 129059147) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-ethyl-3-propan-2-yl-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-3-propan-2-yl-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID129059147
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-ethyl-3-propan-2-yl-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCCC1=C(C(C)C)C(=O)N2CCCC2N1
InChIInChI=1S/C12H20N2O/c1-4-9-11(8(2)3)12(15)14-7-5-6-10(14)13-9/h8,10,13H,4-7H2,1-3H3
InChIKeyNNEZQCHFYDZWRV-UHFFFAOYSA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-propan-2-yl-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-ethyl-3-propan-2-yl-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one (CID 129059147) is 2-ethyl-3-propan-2-yl-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-ethyl-3-propan-2-yl-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-ethyl-3-propan-2-yl-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one is CCC1=C(C(C)C)C(=O)N2CCCC2N1.
What is the InChIKey of 2-ethyl-3-propan-2-yl-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is NNEZQCHFYDZWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-9-11(8(2)3)12(15)14-7-5-6-10(14)13-9/h8,10,13H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-3-propan-2-yl-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one?
2-ethyl-3-propan-2-yl-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 208.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-propan-2-yl-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 129059147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).