2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-prop-2-enylpropanamide

C14H25N3O — CID 66207591

IUPAC2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CC2CNCC2C1CC
InChIInChI=1S/C14H25N3O/c1-4-6-16-14(18)10(3)17-9-11-7-15-8-12(11)13(17)5-2/h4,10-13,15H,1,5-9H2,2-3H3,(H,16,18)
InChIKeyMSRNJHSIPPVYHL-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.61
Rot. Bonds5

About 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-prop-2-enylpropanamide

2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-prop-2-enylpropanamide (PubChem CID 66207591) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-prop-2-enylpropanamide
PubChem CID66207591
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CC2CNCC2C1CC
InChIInChI=1S/C14H25N3O/c1-4-6-16-14(18)10(3)17-9-11-7-15-8-12(11)13(17)5-2/h4,10-13,15H,1,5-9H2,2-3H3,(H,16,18)
InChIKeyMSRNJHSIPPVYHL-UHFFFAOYSA-N
XLogP0.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-prop-2-enylpropanamide (CID 66207591) is 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N1CC2CNCC2C1CC.
What is the InChIKey of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-prop-2-enylpropanamide?
The InChIKey is MSRNJHSIPPVYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-6-16-14(18)10(3)17-9-11-7-15-8-12(11)13(17)5-2/h4,10-13,15H,1,5-9H2,2-3H3,(H,16,18).
What are the key properties of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-prop-2-enylpropanamide?
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-prop-2-enylpropanamide has a molecular weight of 251.37 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 66207591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).