2-[3-(cycloheptylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride

C27H30ClNO3 — CID 10766033

IUPAC2-[3-(cycloheptylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride
SMILESCCc1c(C(=O)C(=O)Cl)c2c(OCc3ccccc3)cccn2c1CC1CCCCCC1
InChIInChI=1S/C27H30ClNO3/c1-2-21-22(17-19-11-6-3-4-7-12-19)29-16-10-15-23(25(29)24(21)26(30)27(28)31)32-18-20-13-8-5-9-14-20/h5,8-10,13-16,19H,2-4,6-7,11-12,17-18H2,1H3
InChIKeyWLOVWYNEZJGZAT-UHFFFAOYSA-N
MW451.99 g/mol
LogP6.54
Rot. Bonds8

About 2-[3-(cycloheptylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride

2-[3-(cycloheptylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride (PubChem CID 10766033) has the molecular formula C27H30ClNO3 and a molecular weight of 451.99 g/mol. Its IUPAC name is 2-[3-(cycloheptylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride.

Molecular Properties

Compound Name2-[3-(cycloheptylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride
PubChem CID10766033
Molecular FormulaC27H30ClNO3
Molecular Weight451.99 g/mol
Exact Mass451.19
IUPAC Name2-[3-(cycloheptylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride
SMILESCCc1c(C(=O)C(=O)Cl)c2c(OCc3ccccc3)cccn2c1CC1CCCCCC1
InChIInChI=1S/C27H30ClNO3/c1-2-21-22(17-19-11-6-3-4-7-12-19)29-16-10-15-23(25(29)24(21)26(30)27(28)31)32-18-20-13-8-5-9-14-20/h5,8-10,13-16,19H,2-4,6-7,11-12,17-18H2,1H3
InChIKeyWLOVWYNEZJGZAT-UHFFFAOYSA-N
XLogP6.54
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.99
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[3-(cycloheptylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(cyclopentylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride
CID 10669989
2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide
CID 10576018
ethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 3983892
2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetic acid
CID 22591926
diethyl 8-phenylmethoxy-2-sulfanylindolizine-1,3-dicarboxylate
CID 10739702
ethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate
CID 10767818
2-oxopropyl 2-[2-ethyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetate
CID 18771215
2-[3-[(3-chlorophenyl)methyl]-2-ethyl-8-(2H-tetrazol-5-ylmethoxy)indolizin-1-yl]-2-oxoacetamide
CID 10531659
1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone
CID 18456376
3-chloro-2-ethyl-4-phenylmethoxybenzoic acid
CID 67182822
N-cyclohexyl-N-(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)acetamide
CID 22591916
2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetamide
CID 10624863

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cycloheptylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride?
The IUPAC name of 2-[3-(cycloheptylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride (CID 10766033) is 2-[3-(cycloheptylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride.
What is the SMILES notation for 2-[3-(cycloheptylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride?
The canonical SMILES for 2-[3-(cycloheptylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride is CCc1c(C(=O)C(=O)Cl)c2c(OCc3ccccc3)cccn2c1CC1CCCCCC1.
What is the InChIKey of 2-[3-(cycloheptylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride?
The InChIKey is WLOVWYNEZJGZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClNO3/c1-2-21-22(17-19-11-6-3-4-7-12-19)29-16-10-15-23(25(29)24(21)26(30)27(28)31)32-18-20-13-8-5-9-14-20/h5,8-10,13-16,19H,2-4,6-7,11-12,17-18H2,1H3.
What are the key properties of 2-[3-(cycloheptylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride?
2-[3-(cycloheptylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride has a molecular weight of 451.99 g/mol, XLogP of 6.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cycloheptylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride is sourced from PubChem (CID 10766033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).