[7-(2-methylideneoctyl)indolizin-5-yl]-phenylmethanone

C24H27NO — CID 174165654

IUPAC[7-(2-methylideneoctyl)indolizin-5-yl]-phenylmethanone
SMILESC=C(CCCCCC)Cc1cc(C(=O)c2ccccc2)n2cccc2c1
InChIInChI=1S/C24H27NO/c1-3-4-5-7-11-19(2)16-20-17-22-14-10-15-25(22)23(18-20)24(26)21-12-8-6-9-13-21/h6,8-10,12-15,17-18H,2-5,7,11,16H2,1H3
InChIKeyGICDJJLOKBTCBD-UHFFFAOYSA-N
MW345.49 g/mol
LogP6.24
Rot. Bonds9

About [7-(2-methylideneoctyl)indolizin-5-yl]-phenylmethanone

[7-(2-methylideneoctyl)indolizin-5-yl]-phenylmethanone (PubChem CID 174165654) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is [7-(2-methylideneoctyl)indolizin-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[7-(2-methylideneoctyl)indolizin-5-yl]-phenylmethanone
PubChem CID174165654
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name[7-(2-methylideneoctyl)indolizin-5-yl]-phenylmethanone
SMILESC=C(CCCCCC)Cc1cc(C(=O)c2ccccc2)n2cccc2c1
InChIInChI=1S/C24H27NO/c1-3-4-5-7-11-19(2)16-20-17-22-14-10-15-25(22)23(18-20)24(26)21-12-8-6-9-13-21/h6,8-10,12-15,17-18H,2-5,7,11,16H2,1H3
InChIKeyGICDJJLOKBTCBD-UHFFFAOYSA-N
XLogP6.24
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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hexane;1-phenylethanone
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1-phenylheptadecan-2-one
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dialuminum;tris(octadecanoate);tribenzoate
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2-pentylquinolizin-4-one
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benzoic acid;octan-2-one
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Frequently Asked Questions

What is the IUPAC name of [7-(2-methylideneoctyl)indolizin-5-yl]-phenylmethanone?
The IUPAC name of [7-(2-methylideneoctyl)indolizin-5-yl]-phenylmethanone (CID 174165654) is [7-(2-methylideneoctyl)indolizin-5-yl]-phenylmethanone.
What is the SMILES notation for [7-(2-methylideneoctyl)indolizin-5-yl]-phenylmethanone?
The canonical SMILES for [7-(2-methylideneoctyl)indolizin-5-yl]-phenylmethanone is C=C(CCCCCC)Cc1cc(C(=O)c2ccccc2)n2cccc2c1.
What is the InChIKey of [7-(2-methylideneoctyl)indolizin-5-yl]-phenylmethanone?
The InChIKey is GICDJJLOKBTCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-3-4-5-7-11-19(2)16-20-17-22-14-10-15-25(22)23(18-20)24(26)21-12-8-6-9-13-21/h6,8-10,12-15,17-18H,2-5,7,11,16H2,1H3.
What are the key properties of [7-(2-methylideneoctyl)indolizin-5-yl]-phenylmethanone?
[7-(2-methylideneoctyl)indolizin-5-yl]-phenylmethanone has a molecular weight of 345.49 g/mol, XLogP of 6.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-methylideneoctyl)indolizin-5-yl]-phenylmethanone is sourced from PubChem (CID 174165654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).