(2-methoxy-4-prop-2-enylphenyl) (2S)-pyrrolidine-2-carboxylate

C15H19NO3 — CID 142526411

IUPAC(2-methoxy-4-prop-2-enylphenyl) (2S)-pyrrolidine-2-carboxylate
SMILESC=CCc1ccc(OC(=O)[C@@H]2CCCN2)c(OC)c1
InChIInChI=1S/C15H19NO3/c1-3-5-11-7-8-13(14(10-11)18-2)19-15(17)12-6-4-9-16-12/h3,7-8,10,12,16H,1,4-6,9H2,2H3/t12-/m0/s1
InChIKeySSOZXBXWNZUZOE-LBPRGKRZSA-N
MW261.32 g/mol
LogP2.08
Rot. Bonds5

About (2-methoxy-4-prop-2-enylphenyl) (2S)-pyrrolidine-2-carboxylate

(2-methoxy-4-prop-2-enylphenyl) (2S)-pyrrolidine-2-carboxylate (PubChem CID 142526411) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2-methoxy-4-prop-2-enylphenyl) (2S)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2-methoxy-4-prop-2-enylphenyl) (2S)-pyrrolidine-2-carboxylate
PubChem CID142526411
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(2-methoxy-4-prop-2-enylphenyl) (2S)-pyrrolidine-2-carboxylate
SMILESC=CCc1ccc(OC(=O)[C@@H]2CCCN2)c(OC)c1
InChIInChI=1S/C15H19NO3/c1-3-5-11-7-8-13(14(10-11)18-2)19-15(17)12-6-4-9-16-12/h3,7-8,10,12,16H,1,4-6,9H2,2H3/t12-/m0/s1
InChIKeySSOZXBXWNZUZOE-LBPRGKRZSA-N
XLogP2.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-4-prop-2-enylphenyl) 1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylate;methyl 1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate;1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 160589009
bis(2-methoxy-4-prop-2-enylphenyl) pentanedioate
CID 139030994
acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate
CID 159570421
(2-methoxy-4-prop-2-enylphenyl) adamantane-1-carboxylate
CID 4916755
2-hydroxy-4-(2-methoxy-4-prop-2-enylphenoxy)-4-oxobutanoic acid
CID 67325524
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
4-(2-methoxy-4-prop-2-enylphenoxy)piperidine
CID 56830913
chloromethyl (2-methoxy-4-prop-2-enylphenyl) carbonate
CID 88995763
(2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate
CID 93483199
(3,4,5-trimethoxyphenyl)methyl pyrrolidine-2-carboxylate
CID 140666594
(2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate
CID 137496757
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18083381

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-prop-2-enylphenyl) (2S)-pyrrolidine-2-carboxylate?
The IUPAC name of (2-methoxy-4-prop-2-enylphenyl) (2S)-pyrrolidine-2-carboxylate (CID 142526411) is (2-methoxy-4-prop-2-enylphenyl) (2S)-pyrrolidine-2-carboxylate.
What is the SMILES notation for (2-methoxy-4-prop-2-enylphenyl) (2S)-pyrrolidine-2-carboxylate?
The canonical SMILES for (2-methoxy-4-prop-2-enylphenyl) (2S)-pyrrolidine-2-carboxylate is C=CCc1ccc(OC(=O)[C@@H]2CCCN2)c(OC)c1.
What is the InChIKey of (2-methoxy-4-prop-2-enylphenyl) (2S)-pyrrolidine-2-carboxylate?
The InChIKey is SSOZXBXWNZUZOE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-5-11-7-8-13(14(10-11)18-2)19-15(17)12-6-4-9-16-12/h3,7-8,10,12,16H,1,4-6,9H2,2H3/t12-/m0/s1.
What are the key properties of (2-methoxy-4-prop-2-enylphenyl) (2S)-pyrrolidine-2-carboxylate?
(2-methoxy-4-prop-2-enylphenyl) (2S)-pyrrolidine-2-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-prop-2-enylphenyl) (2S)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 142526411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).