3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-amine

C7H15N3O — CID 142528501

IUPAC3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-amine
SMILESCOC12CCNC1CN(N)C2
InChIInChI=1S/C7H15N3O/c1-11-7-2-3-9-6(7)4-10(8)5-7/h6,9H,2-5,8H2,1H3
InChIKeyLICBANAKIXJYBD-UHFFFAOYSA-N
MW157.22 g/mol
LogP-1.08
Rot. Bonds1

About 3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-amine

3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-amine (PubChem CID 142528501) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-amine.

Molecular Properties

Compound Name3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-amine
PubChem CID142528501
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-amine
SMILESCOC12CCNC1CN(N)C2
InChIInChI=1S/C7H15N3O/c1-11-7-2-3-9-6(7)4-10(8)5-7/h6,9H,2-5,8H2,1H3
InChIKeyLICBANAKIXJYBD-UHFFFAOYSA-N
XLogP-1.08
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-amine?
The IUPAC name of 3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-amine (CID 142528501) is 3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-amine.
What is the SMILES notation for 3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-amine?
The canonical SMILES for 3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-amine is COC12CCNC1CN(N)C2.
What is the InChIKey of 3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-amine?
The InChIKey is LICBANAKIXJYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-11-7-2-3-9-6(7)4-10(8)5-7/h6,9H,2-5,8H2,1H3.
What are the key properties of 3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-amine?
3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-amine has a molecular weight of 157.22 g/mol, XLogP of -1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-amine is sourced from PubChem (CID 142528501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).