(1-cyanoindolizin-2-yl)methyl 2-(4-methoxyphenoxy)acetate

C19H16N2O4 — CID 16616982

IUPAC(1-cyanoindolizin-2-yl)methyl 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCc2cn3ccccc3c2C#N)cc1
InChIInChI=1S/C19H16N2O4/c1-23-15-5-7-16(8-6-15)24-13-19(22)25-12-14-11-21-9-3-2-4-18(21)17(14)10-20/h2-9,11H,12-13H2,1H3
InChIKeyJVVCAKMNJCMGEW-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.94
Rot. Bonds6

About (1-cyanoindolizin-2-yl)methyl 2-(4-methoxyphenoxy)acetate

(1-cyanoindolizin-2-yl)methyl 2-(4-methoxyphenoxy)acetate (PubChem CID 16616982) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is (1-cyanoindolizin-2-yl)methyl 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name(1-cyanoindolizin-2-yl)methyl 2-(4-methoxyphenoxy)acetate
PubChem CID16616982
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name(1-cyanoindolizin-2-yl)methyl 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCc2cn3ccccc3c2C#N)cc1
InChIInChI=1S/C19H16N2O4/c1-23-15-5-7-16(8-6-15)24-13-19(22)25-12-14-11-21-9-3-2-4-18(21)17(14)10-20/h2-9,11H,12-13H2,1H3
InChIKeyJVVCAKMNJCMGEW-UHFFFAOYSA-N
XLogP2.94
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-cyanoindolizin-2-yl)methyl 2-(4-bromophenoxy)acetate
CID 16619726
(1-cyanoindolizin-2-yl)methyl 2-(4-benzoylphenoxy)acetate
CID 16582227
2-[(1-cyanoindolizin-2-yl)methoxy]-4-methoxybenzamide
CID 47019616
(1-cyanoindolizin-2-yl)methyl (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate
CID 16617093
(1-cyanoindolizin-2-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 16617004
2-[(4-methylsulfonylphenoxy)methyl]indolizine-1-carbonitrile
CID 47019608
(1-cyanoindolizin-2-yl)methyl 1-benzofuran-2-carboxylate
CID 16616468
(1-cyanoindolizin-2-yl)methyl 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 16582195
(1-cyanoindolizin-2-yl)methyl 3-bromo-4-ethoxy-5-methoxybenzoate
CID 16617055
(1-cyanoindolizin-2-yl)methyl 3,5-difluorobenzoate
CID 16617072
(1-cyanoindolizin-2-yl)methyl 1-benzyltriazole-4-carboxylate
CID 55640628
(1-cyanoindolizin-2-yl)methyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
CID 55512414

Frequently Asked Questions

What is the IUPAC name of (1-cyanoindolizin-2-yl)methyl 2-(4-methoxyphenoxy)acetate?
The IUPAC name of (1-cyanoindolizin-2-yl)methyl 2-(4-methoxyphenoxy)acetate (CID 16616982) is (1-cyanoindolizin-2-yl)methyl 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for (1-cyanoindolizin-2-yl)methyl 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for (1-cyanoindolizin-2-yl)methyl 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)OCc2cn3ccccc3c2C#N)cc1.
What is the InChIKey of (1-cyanoindolizin-2-yl)methyl 2-(4-methoxyphenoxy)acetate?
The InChIKey is JVVCAKMNJCMGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-23-15-5-7-16(8-6-15)24-13-19(22)25-12-14-11-21-9-3-2-4-18(21)17(14)10-20/h2-9,11H,12-13H2,1H3.
What are the key properties of (1-cyanoindolizin-2-yl)methyl 2-(4-methoxyphenoxy)acetate?
(1-cyanoindolizin-2-yl)methyl 2-(4-methoxyphenoxy)acetate has a molecular weight of 336.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyanoindolizin-2-yl)methyl 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 16616982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).