4-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one

C9H16N2O — CID 57184975

IUPAC4-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
SMILESCCCN1C(=O)CC2NCCC21
InChIInChI=1S/C9H16N2O/c1-2-5-11-8-3-4-10-7(8)6-9(11)12/h7-8,10H,2-6H2,1H3
InChIKeyAYKBFCREVQLSOZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.36
Rot. Bonds2

About 4-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one

4-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one (PubChem CID 57184975) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one.

Molecular Properties

Compound Name4-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
PubChem CID57184975
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
SMILESCCCN1C(=O)CC2NCCC21
InChIInChI=1S/C9H16N2O/c1-2-5-11-8-3-4-10-7(8)6-9(11)12/h7-8,10H,2-6H2,1H3
InChIKeyAYKBFCREVQLSOZ-UHFFFAOYSA-N
XLogP0.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,6aR)-4-[3-(4-methoxyphenyl)propyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 139598523
(3aS,6aS)-4-[(2-methylphenyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 155875079
(3aR,6aR)-4-[2-(N-methylanilino)ethyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one;formic acid
CID 154920039
5-oxo-N-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-sulfonamide
CID 70310087
(3aS,6aR)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one;2,2,2-trifluoroacetic acid
CID 155843620
(3aR,6aR)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one;hydrochloride
CID 154922342
6-chloro-3-propyl-1,3-diazinane-2,4-dione
CID 78201033
4-(hydroxymethyl)-5-methyl-1-propylpyrrolidin-2-one
CID 117021849
2-propan-2-yl-3-propylimidazolidin-4-one
CID 83241990
(3aR,6aR)-4-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one;hydrochloride
CID 154922223
3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione
CID 64882100
ethene;(5R)-5-methyl-1-propylpyrrolidin-2-one
CID 145214159

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one?
The IUPAC name of 4-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one (CID 57184975) is 4-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one.
What is the SMILES notation for 4-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one?
The canonical SMILES for 4-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one is CCCN1C(=O)CC2NCCC21.
What is the InChIKey of 4-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one?
The InChIKey is AYKBFCREVQLSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-5-11-8-3-4-10-7(8)6-9(11)12/h7-8,10H,2-6H2,1H3.
What are the key properties of 4-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one?
4-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one has a molecular weight of 168.24 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one is sourced from PubChem (CID 57184975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).