[5-(2-morpholin-4-ylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol

C13H25N3O2 — CID 137344705

IUPAC[5-(2-morpholin-4-ylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
SMILESOCC12CNCC1CN(CCN1CCOCC1)C2
InChIInChI=1S/C13H25N3O2/c17-11-13-9-14-7-12(13)8-16(10-13)2-1-15-3-5-18-6-4-15/h12,14,17H,1-11H2
InChIKeyALPNOVJCGHZBOQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP-1.17
Rot. Bonds4

About [5-(2-morpholin-4-ylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol

[5-(2-morpholin-4-ylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol (PubChem CID 137344705) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is [5-(2-morpholin-4-ylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[5-(2-morpholin-4-ylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
PubChem CID137344705
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name[5-(2-morpholin-4-ylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
SMILESOCC12CNCC1CN(CCN1CCOCC1)C2
InChIInChI=1S/C13H25N3O2/c17-11-13-9-14-7-12(13)8-16(10-13)2-1-15-3-5-18-6-4-15/h12,14,17H,1-11H2
InChIKeyALPNOVJCGHZBOQ-UHFFFAOYSA-N
XLogP-1.17
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-morpholin-4-ylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The IUPAC name of [5-(2-morpholin-4-ylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol (CID 137344705) is [5-(2-morpholin-4-ylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [5-(2-morpholin-4-ylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The canonical SMILES for [5-(2-morpholin-4-ylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol is OCC12CNCC1CN(CCN1CCOCC1)C2.
What is the InChIKey of [5-(2-morpholin-4-ylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The InChIKey is ALPNOVJCGHZBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c17-11-13-9-14-7-12(13)8-16(10-13)2-1-15-3-5-18-6-4-15/h12,14,17H,1-11H2.
What are the key properties of [5-(2-morpholin-4-ylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol?
[5-(2-morpholin-4-ylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol has a molecular weight of 255.36 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-morpholin-4-ylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 137344705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).