(3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one

C10H17NO — CID 134900789

IUPAC(3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one
SMILESCC[C@@H]1C(=O)C[C@]2(C)CCCN12
InChIInChI=1S/C10H17NO/c1-3-8-9(12)7-10(2)5-4-6-11(8)10/h8H,3-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyXVRVAPLCLBJFKY-SCZZXKLOSA-N
MW167.25 g/mol
LogP1.59
Rot. Bonds1

About (3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one

(3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one (PubChem CID 134900789) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one.

Molecular Properties

Compound Name(3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one
PubChem CID134900789
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one
SMILESCC[C@@H]1C(=O)C[C@]2(C)CCCN12
InChIInChI=1S/C10H17NO/c1-3-8-9(12)7-10(2)5-4-6-11(8)10/h8H,3-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyXVRVAPLCLBJFKY-SCZZXKLOSA-N
XLogP1.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-2-(1-methylcyclopentyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944865
8-ethyl-9-(1-methylcyclopentyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64973613
6-ethyl-1-(1-methylcyclopentyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64973563
1-ethyl-3,3-dimethylpiperidin-2-one
CID 89133568
(3R,8S)-3-(methoxymethyl)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 164922728
3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968282
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one
CID 79022697
5-ethyl-1-hydroxy-4-oxopyrrolidine-3-carbonitrile;fluoromethane
CID 142912129
8,9-diethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887606
3-ethyl-2-[(2,2,3,3-tetramethylcyclopropyl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79926729
(8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine-2-carbonitrile
CID 171595552
(8aS)-8a-methyl-1,2,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-one
CID 135392990

Frequently Asked Questions

What is the IUPAC name of (3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one?
The IUPAC name of (3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one (CID 134900789) is (3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one.
What is the SMILES notation for (3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one?
The canonical SMILES for (3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one is CC[C@@H]1C(=O)C[C@]2(C)CCCN12.
What is the InChIKey of (3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one?
The InChIKey is XVRVAPLCLBJFKY-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-8-9(12)7-10(2)5-4-6-11(8)10/h8H,3-7H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of (3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one?
(3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one is sourced from PubChem (CID 134900789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).