[5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-propyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol

About [5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-propyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol

[5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-propyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol (PubChem CID 138385235) has the molecular formula C23H36N2O3 and a molecular weight of 388.55 g/mol. Its IUPAC name is [5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-propyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name	[5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-propyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
PubChem CID	138385235
Molecular Formula	C23H36N2O3
Molecular Weight	388.55 g/mol
Exact Mass	388.27
IUPAC Name	[5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-propyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
SMILES	C=CCc1cc(CN2CC3CN(CCC)CC3(CO)C2)cc(OC)c1OCC
InChI	InChI=1S/C23H36N2O3/c1-5-8-19-10-18(11-21(27-4)22(19)28-7-3)12-25-14-20-13-24(9-6-2)15-23(20,16-25)17-26/h5,10-11,20,26H,1,6-9,12-17H2,2-4H3
InChIKey	YWPDAZZHPRFXFW-UHFFFAOYSA-N
XLogP	2.96
TPSA	45.17 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	10
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.55
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-propyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?

The IUPAC name of [5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-propyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol (CID 138385235) is [5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-propyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol.

What is the SMILES notation for [5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-propyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?

The canonical SMILES for [5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-propyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol is C=CCc1cc(CN2CC3CN(CCC)CC3(CO)C2)cc(OC)c1OCC.

What is the InChIKey of [5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-propyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?

The InChIKey is YWPDAZZHPRFXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O3/c1-5-8-19-10-18(11-21(27-4)22(19)28-7-3)12-25-14-20-13-24(9-6-2)15-23(20,16-25)17-26/h5,10-11,20,26H,1,6-9,12-17H2,2-4H3.

What are the key properties of [5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-propyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?

[5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-propyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol has a molecular weight of 388.55 g/mol, XLogP of 2.96, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-propyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 138385235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).