ethyl 6-[(Z)-4-hydroxybut-2-en-2-yl]indolizine-2-carboxylate

C15H17NO3 — CID 67068234

IUPACethyl 6-[(Z)-4-hydroxybut-2-en-2-yl]indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(/C(C)=C\CO)cn2c1
InChIInChI=1S/C15H17NO3/c1-3-19-15(18)13-8-14-5-4-12(9-16(14)10-13)11(2)6-7-17/h4-6,8-10,17H,3,7H2,1-2H3/b11-6-
InChIKeySBVGHPLQDLWEPF-WDZFZDKYSA-N
MW259.30 g/mol
LogP2.51
Rot. Bonds4

About ethyl 6-[(Z)-4-hydroxybut-2-en-2-yl]indolizine-2-carboxylate

ethyl 6-[(Z)-4-hydroxybut-2-en-2-yl]indolizine-2-carboxylate (PubChem CID 67068234) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is ethyl 6-[(Z)-4-hydroxybut-2-en-2-yl]indolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(Z)-4-hydroxybut-2-en-2-yl]indolizine-2-carboxylate
PubChem CID67068234
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Nameethyl 6-[(Z)-4-hydroxybut-2-en-2-yl]indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(/C(C)=C\CO)cn2c1
InChIInChI=1S/C15H17NO3/c1-3-19-15(18)13-8-14-5-4-12(9-16(14)10-13)11(2)6-7-17/h4-6,8-10,17H,3,7H2,1-2H3/b11-6-
InChIKeySBVGHPLQDLWEPF-WDZFZDKYSA-N
XLogP2.51
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 177359371
CID 177359371
ethyl 4-[(Z)-but-2-en-2-yl]benzoate
CID 145025321
ethyl pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate
CID 146473667
ethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate
CID 155060092
ethyl 8-aminoindolizine-2-carboxylate
CID 131575928
ethyl 4-prop-2-enoylbenzoate
CID 14093547
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-(3-methylbut-2-enoyl)benzoate
CID 91373668
ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]indolizine-2-carboxylate
CID 130458351
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethyl 4-aminobenzoate
CID 2337

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(Z)-4-hydroxybut-2-en-2-yl]indolizine-2-carboxylate?
The IUPAC name of ethyl 6-[(Z)-4-hydroxybut-2-en-2-yl]indolizine-2-carboxylate (CID 67068234) is ethyl 6-[(Z)-4-hydroxybut-2-en-2-yl]indolizine-2-carboxylate.
What is the SMILES notation for ethyl 6-[(Z)-4-hydroxybut-2-en-2-yl]indolizine-2-carboxylate?
The canonical SMILES for ethyl 6-[(Z)-4-hydroxybut-2-en-2-yl]indolizine-2-carboxylate is CCOC(=O)c1cc2ccc(/C(C)=C\CO)cn2c1.
What is the InChIKey of ethyl 6-[(Z)-4-hydroxybut-2-en-2-yl]indolizine-2-carboxylate?
The InChIKey is SBVGHPLQDLWEPF-WDZFZDKYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-19-15(18)13-8-14-5-4-12(9-16(14)10-13)11(2)6-7-17/h4-6,8-10,17H,3,7H2,1-2H3/b11-6-.
What are the key properties of ethyl 6-[(Z)-4-hydroxybut-2-en-2-yl]indolizine-2-carboxylate?
ethyl 6-[(Z)-4-hydroxybut-2-en-2-yl]indolizine-2-carboxylate has a molecular weight of 259.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(Z)-4-hydroxybut-2-en-2-yl]indolizine-2-carboxylate is sourced from PubChem (CID 67068234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).