[1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-3-yl]methanol

C17H25NO3 — CID 43818111

IUPAC[1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-3-yl]methanol
SMILESC=CCc1cc(CN2CCC(CO)C2)cc(OC)c1OC
InChIInChI=1S/C17H25NO3/c1-4-5-15-8-14(9-16(20-2)17(15)21-3)11-18-7-6-13(10-18)12-19/h4,8-9,13,19H,1,5-7,10-12H2,2-3H3
InChIKeyUFPAYDVJUJJRGP-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.25
Rot. Bonds7

About [1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-3-yl]methanol

[1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 43818111) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is [1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID43818111
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name[1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-3-yl]methanol
SMILESC=CCc1cc(CN2CCC(CO)C2)cc(OC)c1OC
InChIInChI=1S/C17H25NO3/c1-4-5-15-8-14(9-16(20-2)17(15)21-3)11-18-7-6-13(10-18)12-19/h4,8-9,13,19H,1,5-7,10-12H2,2-3H3
InChIKeyUFPAYDVJUJJRGP-UHFFFAOYSA-N
XLogP2.25
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-3-yl]methanol (CID 43818111) is [1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-3-yl]methanol is C=CCc1cc(CN2CCC(CO)C2)cc(OC)c1OC.
What is the InChIKey of [1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is UFPAYDVJUJJRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-5-15-8-14(9-16(20-2)17(15)21-3)11-18-7-6-13(10-18)12-19/h4,8-9,13,19H,1,5-7,10-12H2,2-3H3.
What are the key properties of [1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-3-yl]methanol?
[1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 291.39 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 43818111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).