7-iodo-8-methyl-4-propyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one

C11H19IN2O — CID 163902307

IUPAC7-iodo-8-methyl-4-propyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCCCC1CNC(=O)C2C(C)C(I)CN12
InChIInChI=1S/C11H19IN2O/c1-3-4-8-5-13-11(15)10-7(2)9(12)6-14(8)10/h7-10H,3-6H2,1-2H3,(H,13,15)
InChIKeyQKXIHBXKFNJGHW-UHFFFAOYSA-N
MW322.19 g/mol
LogP1.41
Rot. Bonds2

About 7-iodo-8-methyl-4-propyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one

7-iodo-8-methyl-4-propyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 163902307) has the molecular formula C11H19IN2O and a molecular weight of 322.19 g/mol. Its IUPAC name is 7-iodo-8-methyl-4-propyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-iodo-8-methyl-4-propyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID163902307
Molecular FormulaC11H19IN2O
Molecular Weight322.19 g/mol
Exact Mass322.05
IUPAC Name7-iodo-8-methyl-4-propyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCCCC1CNC(=O)C2C(C)C(I)CN12
InChIInChI=1S/C11H19IN2O/c1-3-4-8-5-13-11(15)10-7(2)9(12)6-14(8)10/h7-10H,3-6H2,1-2H3,(H,13,15)
InChIKeyQKXIHBXKFNJGHW-UHFFFAOYSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-5-methyl-2-propylpiperazine
CID 82937184
4-hydroxy-3-pentylpyrrolidin-2-one
CID 67824798
1-ethyl-6-propylpiperazine-2,5-dione
CID 64881606
(3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione
CID 12789509
3-ethyl-4-propyl-4,5-dihydropyrimidin-2-one
CID 123482071
(3S,6S)-6-methyl-3-propylpiperazin-2-one
CID 91195931
2-ethyl-1-hydroxy-6-propylpiperidin-4-one
CID 154933974
1-cyclopropyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64958390
1-(2,3-dimethylcyclopentyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64973429
1-bromo-2-propylaziridine
CID 544623
5-iodo-1-methylimidazolidin-2-one
CID 149054105
3-methyl-7-propyloxepan-2-one
CID 25003699

Frequently Asked Questions

What is the IUPAC name of 7-iodo-8-methyl-4-propyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-iodo-8-methyl-4-propyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 163902307) is 7-iodo-8-methyl-4-propyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-iodo-8-methyl-4-propyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-iodo-8-methyl-4-propyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one is CCCC1CNC(=O)C2C(C)C(I)CN12.
What is the InChIKey of 7-iodo-8-methyl-4-propyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is QKXIHBXKFNJGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IN2O/c1-3-4-8-5-13-11(15)10-7(2)9(12)6-14(8)10/h7-10H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 7-iodo-8-methyl-4-propyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
7-iodo-8-methyl-4-propyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 322.19 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-8-methyl-4-propyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 163902307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).