7-ethyl-6-propan-2-ylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one

C12H19NO — CID 175973761

IUPAC7-ethyl-6-propan-2-ylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESCCC1C(=C(C)C)CN2C(=O)CCC12
InChIInChI=1S/C12H19NO/c1-4-9-10(8(2)3)7-13-11(9)5-6-12(13)14/h9,11H,4-7H2,1-3H3
InChIKeyPHZOXPPLCXLPOX-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.35
Rot. Bonds1

About 7-ethyl-6-propan-2-ylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one

7-ethyl-6-propan-2-ylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 175973761) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 7-ethyl-6-propan-2-ylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name7-ethyl-6-propan-2-ylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
PubChem CID175973761
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name7-ethyl-6-propan-2-ylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESCCC1C(=C(C)C)CN2C(=O)CCC12
InChIInChI=1S/C12H19NO/c1-4-9-10(8(2)3)7-13-11(9)5-6-12(13)14/h9,11H,4-7H2,1-3H3
InChIKeyPHZOXPPLCXLPOX-UHFFFAOYSA-N
XLogP2.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 175976038
(6S,8R,8aS)-6-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 102151511
[(7S,8R,8aS)-8-ethyl-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl] formate
CID 131881589
7-(iodomethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 85145376
(9R,9aR)-9-(hydroxymethyl)-1,2,5,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-3-one
CID 130756851
(8S,8aR)-8-acetyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131856644
(7S,8S)-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10606815
2-(2-ethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944625
1-ethyl-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-2,5-dione
CID 102735221
ethyl 3,7-dioxo-1,2,5,6,8,8a-hexahydroindolizine-8-carboxylate
CID 13179720
1-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 141392273
(8S,8aR)-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 127256799

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-propan-2-ylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 7-ethyl-6-propan-2-ylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one (CID 175973761) is 7-ethyl-6-propan-2-ylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 7-ethyl-6-propan-2-ylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 7-ethyl-6-propan-2-ylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one is CCC1C(=C(C)C)CN2C(=O)CCC12.
What is the InChIKey of 7-ethyl-6-propan-2-ylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is PHZOXPPLCXLPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-9-10(8(2)3)7-13-11(9)5-6-12(13)14/h9,11H,4-7H2,1-3H3.
What are the key properties of 7-ethyl-6-propan-2-ylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
7-ethyl-6-propan-2-ylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 193.29 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-propan-2-ylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 175973761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).