[5-(azidomethyl)furan-2-yl]-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone

C15H19N5O2 — CID 134162813

IUPAC[5-(azidomethyl)furan-2-yl]-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILES[N-]=[N+]=NCc1ccc(C(=O)N2CC3CN(C4CC4)CC3C2)o1
InChIInChI=1S/C15H19N5O2/c16-18-17-5-13-3-4-14(22-13)15(21)20-8-10-6-19(12-1-2-12)7-11(10)9-20/h3-4,10-12H,1-2,5-9H2
InChIKeyJTLYJQWRGZJVPE-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.26
Rot. Bonds4

About [5-(azidomethyl)furan-2-yl]-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone

[5-(azidomethyl)furan-2-yl]-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone (PubChem CID 134162813) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is [5-(azidomethyl)furan-2-yl]-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name[5-(azidomethyl)furan-2-yl]-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
PubChem CID134162813
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name[5-(azidomethyl)furan-2-yl]-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILES[N-]=[N+]=NCc1ccc(C(=O)N2CC3CN(C4CC4)CC3C2)o1
InChIInChI=1S/C15H19N5O2/c16-18-17-5-13-3-4-14(22-13)15(21)20-8-10-6-19(12-1-2-12)7-11(10)9-20/h3-4,10-12H,1-2,5-9H2
InChIKeyJTLYJQWRGZJVPE-UHFFFAOYSA-N
XLogP2.26
TPSA85.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [5-(azidomethyl)furan-2-yl]-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(azidomethyl)furan-2-yl]-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone?
The IUPAC name of [5-(azidomethyl)furan-2-yl]-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone (CID 134162813) is [5-(azidomethyl)furan-2-yl]-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone.
What is the SMILES notation for [5-(azidomethyl)furan-2-yl]-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone?
The canonical SMILES for [5-(azidomethyl)furan-2-yl]-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone is [N-]=[N+]=NCc1ccc(C(=O)N2CC3CN(C4CC4)CC3C2)o1.
What is the InChIKey of [5-(azidomethyl)furan-2-yl]-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone?
The InChIKey is JTLYJQWRGZJVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c16-18-17-5-13-3-4-14(22-13)15(21)20-8-10-6-19(12-1-2-12)7-11(10)9-20/h3-4,10-12H,1-2,5-9H2.
What are the key properties of [5-(azidomethyl)furan-2-yl]-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone?
[5-(azidomethyl)furan-2-yl]-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(azidomethyl)furan-2-yl]-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone is sourced from PubChem (CID 134162813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).