[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride

C13H23ClN2O3 — CID 154917437

IUPAC[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride
SMILESCOCC1(C(=O)N2CC3CNCC3(CO)C2)CC1.Cl
InChIInChI=1S/C13H22N2O3.ClH/c1-18-9-12(2-3-12)11(17)15-5-10-4-14-6-13(10,7-15)8-16;/h10,14,16H,2-9H2,1H3;1H
InChIKeyPIGAMCFTGFMYRP-UHFFFAOYSA-N
MW290.79 g/mol
LogP-0.12
Rot. Bonds4

About [3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride

[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride (PubChem CID 154917437) has the molecular formula C13H23ClN2O3 and a molecular weight of 290.79 g/mol. Its IUPAC name is [3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride.

Molecular Properties

Compound Name[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride
PubChem CID154917437
Molecular FormulaC13H23ClN2O3
Molecular Weight290.79 g/mol
Exact Mass290.14
IUPAC Name[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride
SMILESCOCC1(C(=O)N2CC3CNCC3(CO)C2)CC1.Cl
InChIInChI=1S/C13H22N2O3.ClH/c1-18-9-12(2-3-12)11(17)15-5-10-4-14-6-13(10,7-15)8-16;/h10,14,16H,2-9H2,1H3;1H
InChIKeyPIGAMCFTGFMYRP-UHFFFAOYSA-N
XLogP-0.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride 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 [3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride?
The IUPAC name of [3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride (CID 154917437) is [3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride.
What is the SMILES notation for [3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride?
The canonical SMILES for [3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride is COCC1(C(=O)N2CC3CNCC3(CO)C2)CC1.Cl.
What is the InChIKey of [3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride?
The InChIKey is PIGAMCFTGFMYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3.ClH/c1-18-9-12(2-3-12)11(17)15-5-10-4-14-6-13(10,7-15)8-16;/h10,14,16H,2-9H2,1H3;1H.
What are the key properties of [3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride?
[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride has a molecular weight of 290.79 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride is sourced from PubChem (CID 154917437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).