(3aR,6aS)-5-butyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione

C10H15NO3 — CID 46201487

IUPAC(3aR,6aS)-5-butyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
SMILESCCCCN1C(=O)[C@H]2COC[C@H]2C1=O
InChIInChI=1S/C10H15NO3/c1-2-3-4-11-9(12)7-5-14-6-8(7)10(11)13/h7-8H,2-6H2,1H3/t7-,8+
InChIKeyNSWMKHWRMAENCV-OCAPTIKFSA-N
MW197.23 g/mol
LogP0.42
Rot. Bonds3

About (3aR,6aS)-5-butyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione

(3aR,6aS)-5-butyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione (PubChem CID 46201487) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (3aR,6aS)-5-butyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name(3aR,6aS)-5-butyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
PubChem CID46201487
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(3aR,6aS)-5-butyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
SMILESCCCCN1C(=O)[C@H]2COC[C@H]2C1=O
InChIInChI=1S/C10H15NO3/c1-2-3-4-11-9(12)7-5-14-6-8(7)10(11)13/h7-8H,2-6H2,1H3/t7-,8+
InChIKeyNSWMKHWRMAENCV-OCAPTIKFSA-N
XLogP0.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3aR,6aS)-5-butyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione with MolForge

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Related Compounds

(3aS,6aR)-5-octyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
CID 46201529
3-butyl-1-methyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione
CID 66264963
3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 121221286
1-methyl-3-propyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione
CID 66264962
5-octyl-1,3,3a,6a-tetrahydrothieno[3,4-c]pyrrole-4,6-dione
CID 75146607
(4R,7R)-2-butyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 24991507
(3aS,6aR)-5-hexyl-1,3,3a,6a-tetrahydrothieno[3,4-c]pyrrole-4,6-dione
CID 46201750
4-butylmorpholine-3,5-dione
CID 13156567
(1R,2S,6R,7S)-4-butyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 10632668
11-butyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione
CID 58821966
1-hexadecyl-3,4-dimethylpyrrolidine-2,5-dione
CID 58800399
5-propyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 75146557

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-butyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione?
The IUPAC name of (3aR,6aS)-5-butyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione (CID 46201487) is (3aR,6aS)-5-butyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for (3aR,6aS)-5-butyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for (3aR,6aS)-5-butyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione is CCCCN1C(=O)[C@H]2COC[C@H]2C1=O.
What is the InChIKey of (3aR,6aS)-5-butyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione?
The InChIKey is NSWMKHWRMAENCV-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-3-4-11-9(12)7-5-14-6-8(7)10(11)13/h7-8H,2-6H2,1H3/t7-,8+.
What are the key properties of (3aR,6aS)-5-butyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione?
(3aR,6aS)-5-butyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione has a molecular weight of 197.23 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-butyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 46201487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).