ethene;3-(2-phenylindolizin-3-yl)buta-1,3-dien-2-amine

C20H20N2 — CID 143676529

IUPACethene;3-(2-phenylindolizin-3-yl)buta-1,3-dien-2-amine
SMILESC=C.C=C(N)C(=C)c1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C18H16N2.C2H4/c1-13(14(2)19)18-17(15-8-4-3-5-9-15)12-16-10-6-7-11-20(16)18;1-2/h3-12H,1-2,19H2;1-2H2
InChIKeyVBBZLNZQNRNKSN-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.89
Rot. Bonds3

About ethene;3-(2-phenylindolizin-3-yl)buta-1,3-dien-2-amine

ethene;3-(2-phenylindolizin-3-yl)buta-1,3-dien-2-amine (PubChem CID 143676529) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethene;3-(2-phenylindolizin-3-yl)buta-1,3-dien-2-amine.

Molecular Properties

Compound Nameethene;3-(2-phenylindolizin-3-yl)buta-1,3-dien-2-amine
PubChem CID143676529
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Nameethene;3-(2-phenylindolizin-3-yl)buta-1,3-dien-2-amine
SMILESC=C.C=C(N)C(=C)c1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C18H16N2.C2H4/c1-13(14(2)19)18-17(15-8-4-3-5-9-15)12-16-10-6-7-11-20(16)18;1-2/h3-12H,1-2,19H2;1-2H2
InChIKeyVBBZLNZQNRNKSN-UHFFFAOYSA-N
XLogP4.89
TPSA30.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-phenylindolizin-3-yl)methanamine
CID 45496730
ethane;ethene;3-(3-methylbuta-1,3-dien-2-yl)-2-(2-methylphenyl)indolizine
CID 143676570
N-ethyl-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 2371420
(2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 2359773
3-(2-phenylindolizin-3-yl)propanoate
CID 4608346
N'-acetyl-2-oxo-N'-phenyl-2-(2-phenylindolizin-3-yl)acetohydrazide
CID 123824806
3-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]benzoic acid
CID 68828260
3-hexyl-2-phenylindolizine
CID 118694319
N-[4-(1-hydroxyethyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 67106871
N-(2-amino-2-phenylethyl)-N-[2-oxo-2-(2-phenylindolizin-3-yl)ethyl]benzamide
CID 151025786
1-(2-ethylpiperidin-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione
CID 54774341
4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]-2-propan-2-ylbenzoic acid
CID 91265983

Frequently Asked Questions

What is the IUPAC name of ethene;3-(2-phenylindolizin-3-yl)buta-1,3-dien-2-amine?
The IUPAC name of ethene;3-(2-phenylindolizin-3-yl)buta-1,3-dien-2-amine (CID 143676529) is ethene;3-(2-phenylindolizin-3-yl)buta-1,3-dien-2-amine.
What is the SMILES notation for ethene;3-(2-phenylindolizin-3-yl)buta-1,3-dien-2-amine?
The canonical SMILES for ethene;3-(2-phenylindolizin-3-yl)buta-1,3-dien-2-amine is C=C.C=C(N)C(=C)c1c(-c2ccccc2)cc2ccccn12.
What is the InChIKey of ethene;3-(2-phenylindolizin-3-yl)buta-1,3-dien-2-amine?
The InChIKey is VBBZLNZQNRNKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2.C2H4/c1-13(14(2)19)18-17(15-8-4-3-5-9-15)12-16-10-6-7-11-20(16)18;1-2/h3-12H,1-2,19H2;1-2H2.
What are the key properties of ethene;3-(2-phenylindolizin-3-yl)buta-1,3-dien-2-amine?
ethene;3-(2-phenylindolizin-3-yl)buta-1,3-dien-2-amine has a molecular weight of 288.39 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-(2-phenylindolizin-3-yl)buta-1,3-dien-2-amine is sourced from PubChem (CID 143676529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).