2-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one

C11H20N2O — CID 145406806

IUPAC2-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one
SMILESCCN1CC2CC(C)(C)CN2CC1=O
InChIInChI=1S/C11H20N2O/c1-4-12-6-9-5-11(2,3)8-13(9)7-10(12)14/h9H,4-8H2,1-3H3
InChIKeyDPPCNAVVEOPWRH-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.95
Rot. Bonds1

About 2-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one

2-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one (PubChem CID 145406806) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one.

Molecular Properties

Compound Name2-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one
PubChem CID145406806
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one
SMILESCCN1CC2CC(C)(C)CN2CC1=O
InChIInChI=1S/C11H20N2O/c1-4-12-6-9-5-11(2,3)8-13(9)7-10(12)14/h9H,4-8H2,1-3H3
InChIKeyDPPCNAVVEOPWRH-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one with MolForge

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Related Compounds

2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one
CID 130927080
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CID 130774971
1-ethyl-4,5-dimethylpiperazin-2-one
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4-ethyl-7,7-dimethyl-5-oxo-1,4-thiazepane-2-carboxamide
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3,5-diethyl-5-methyl-1,3-oxazolidin-2-one
CID 22000696
1-ethyl-5-methylpiperidine-2,4-dione
CID 14800179
1-ethyl-4-(3-hydroxybutyl)-5-methylpiperazin-2-one
CID 112546859
4-ethyl-4-azatetracyclo[7.3.1.17,11.01,6]tetradecan-3-one
CID 78130764
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
CID 115064735

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one?
The IUPAC name of 2-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one (CID 145406806) is 2-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one.
What is the SMILES notation for 2-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one?
The canonical SMILES for 2-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one is CCN1CC2CC(C)(C)CN2CC1=O.
What is the InChIKey of 2-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one?
The InChIKey is DPPCNAVVEOPWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-12-6-9-5-11(2,3)8-13(9)7-10(12)14/h9H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one?
2-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one has a molecular weight of 196.29 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one is sourced from PubChem (CID 145406806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).