1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid

C18H25NO5 — CID 2924381

IUPAC1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid
SMILESC=CCc1cc(C)ccc1OCCN1CCCC1.O=C(O)C(=O)O
InChIInChI=1S/C16H23NO.C2H2O4/c1-3-6-15-13-14(2)7-8-16(15)18-12-11-17-9-4-5-10-17;3-1(4)2(5)6/h3,7-8,13H,1,4-6,9-12H2,2H3;(H,3,4)(H,5,6)
InChIKeyCQWOIPYLDNVHTN-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.35
Rot. Bonds6

About 1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid

1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid (PubChem CID 2924381) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid.

Molecular Properties

Compound Name1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid
PubChem CID2924381
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid
SMILESC=CCc1cc(C)ccc1OCCN1CCCC1.O=C(O)C(=O)O
InChIInChI=1S/C16H23NO.C2H2O4/c1-3-6-15-13-14(2)7-8-16(15)18-12-11-17-9-4-5-10-17;3-1(4)2(5)6/h3,7-8,13H,1,4-6,9-12H2,2H3;(H,3,4)(H,5,6)
InChIKeyCQWOIPYLDNVHTN-UHFFFAOYSA-N
XLogP2.35
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine;oxalic acid
CID 16614087
1-[2-(4-chloro-2-prop-2-enylphenoxy)ethyl]-4-methylpiperazine;oxalic acid
CID 2924081
oxalic acid;1-[3-(2-prop-2-enylphenoxy)propyl]azepane
CID 2944028
1-[4-(2-bromo-4-methylphenoxy)butyl]piperidine;oxalic acid
CID 2922843
2-[4-(4-methyl-2-prop-2-enylphenoxy)butylamino]ethanol;oxalic acid
CID 2922603
2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 63325127
[5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
CID 63325192
1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]azepane;oxalic acid
CID 2944725
1-(5-methyl-2-prop-2-enoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052110
N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 63326889
2-[2-(azepan-1-yl)ethoxy]-5-methylaniline;dihydrochloride
CID 46736515
(1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol
CID 55190771

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid?
The IUPAC name of 1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid (CID 2924381) is 1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid.
What is the SMILES notation for 1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid?
The canonical SMILES for 1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid is C=CCc1cc(C)ccc1OCCN1CCCC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid?
The InChIKey is CQWOIPYLDNVHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.C2H2O4/c1-3-6-15-13-14(2)7-8-16(15)18-12-11-17-9-4-5-10-17;3-1(4)2(5)6/h3,7-8,13H,1,4-6,9-12H2,2H3;(H,3,4)(H,5,6).
What are the key properties of 1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid?
1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid has a molecular weight of 335.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid is sourced from PubChem (CID 2924381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).