[3-[(E)-2-phenylethenyl]indolizin-1-yl] acetate

C18H15NO2 — CID 23628660

IUPAC[3-[(E)-2-phenylethenyl]indolizin-1-yl] acetate
SMILESCC(=O)Oc1cc(/C=C/c2ccccc2)n2ccccc12
InChIInChI=1S/C18H15NO2/c1-14(20)21-18-13-16(19-12-6-5-9-17(18)19)11-10-15-7-3-2-4-8-15/h2-13H,1H3/b11-10+
InChIKeyHHIVQYVSCQDQDR-ZHACJKMWSA-N
MW277.32 g/mol
LogP4.03
Rot. Bonds3

About [3-[(E)-2-phenylethenyl]indolizin-1-yl] acetate

[3-[(E)-2-phenylethenyl]indolizin-1-yl] acetate (PubChem CID 23628660) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is [3-[(E)-2-phenylethenyl]indolizin-1-yl] acetate.

Molecular Properties

Compound Name[3-[(E)-2-phenylethenyl]indolizin-1-yl] acetate
PubChem CID23628660
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name[3-[(E)-2-phenylethenyl]indolizin-1-yl] acetate
SMILESCC(=O)Oc1cc(/C=C/c2ccccc2)n2ccccc12
InChIInChI=1S/C18H15NO2/c1-14(20)21-18-13-16(19-12-6-5-9-17(18)19)11-10-15-7-3-2-4-8-15/h2-13H,1H3/b11-10+
InChIKeyHHIVQYVSCQDQDR-ZHACJKMWSA-N
XLogP4.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;stilbene
CID 172803728
[2,6-diacetyloxy-4-(2-phenylethenyl)phenyl] 2-chloroacetate
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[2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate
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ethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate
CID 142749731
acetyl 3-phenylprop-2-enoate
CID 57206996
ethyl acetate;stilbene
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(4-oxo-1,3-diphenylquinolizin-2-yl) acetate
CID 110273347
[2-[2-(benzylideneamino)acetyl]phenyl] acetate
CID 101443233
CID 67784645
CID 67784645
[3-(2-acetyloxybenzoyl)oxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl] 2-acetyloxybenzoate
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[(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate
CID 118487629

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-2-phenylethenyl]indolizin-1-yl] acetate?
The IUPAC name of [3-[(E)-2-phenylethenyl]indolizin-1-yl] acetate (CID 23628660) is [3-[(E)-2-phenylethenyl]indolizin-1-yl] acetate.
What is the SMILES notation for [3-[(E)-2-phenylethenyl]indolizin-1-yl] acetate?
The canonical SMILES for [3-[(E)-2-phenylethenyl]indolizin-1-yl] acetate is CC(=O)Oc1cc(/C=C/c2ccccc2)n2ccccc12.
What is the InChIKey of [3-[(E)-2-phenylethenyl]indolizin-1-yl] acetate?
The InChIKey is HHIVQYVSCQDQDR-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H15NO2/c1-14(20)21-18-13-16(19-12-6-5-9-17(18)19)11-10-15-7-3-2-4-8-15/h2-13H,1H3/b11-10+.
What are the key properties of [3-[(E)-2-phenylethenyl]indolizin-1-yl] acetate?
[3-[(E)-2-phenylethenyl]indolizin-1-yl] acetate has a molecular weight of 277.32 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-2-phenylethenyl]indolizin-1-yl] acetate is sourced from PubChem (CID 23628660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).