7-(aminomethyl)-2-(2,3-dichloro-6-methoxyphenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

C16H20Cl2N2O2 — CID 175799720

IUPAC7-(aminomethyl)-2-(2,3-dichloro-6-methoxyphenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCOc1ccc(Cl)c(Cl)c1C1CC2CC(CN)CC(=O)N2C1
InChIInChI=1S/C16H20Cl2N2O2/c1-22-13-3-2-12(17)16(18)15(13)10-6-11-4-9(7-19)5-14(21)20(11)8-10/h2-3,9-11H,4-8,19H2,1H3
InChIKeyMLBLHKVHTYXJIT-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.06
Rot. Bonds3

About 7-(aminomethyl)-2-(2,3-dichloro-6-methoxyphenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

7-(aminomethyl)-2-(2,3-dichloro-6-methoxyphenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 175799720) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is 7-(aminomethyl)-2-(2,3-dichloro-6-methoxyphenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name7-(aminomethyl)-2-(2,3-dichloro-6-methoxyphenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID175799720
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name7-(aminomethyl)-2-(2,3-dichloro-6-methoxyphenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCOc1ccc(Cl)c(Cl)c1C1CC2CC(CN)CC(=O)N2C1
InChIInChI=1S/C16H20Cl2N2O2/c1-22-13-3-2-12(17)16(18)15(13)10-6-11-4-9(7-19)5-14(21)20(11)8-10/h2-3,9-11H,4-8,19H2,1H3
InChIKeyMLBLHKVHTYXJIT-UHFFFAOYSA-N
XLogP3.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(aminomethyl)-2-(2,3-dichloro-6-methoxyphenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one with MolForge

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Related Compounds

2-(2,3-dichloro-6-methoxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 175799748
2-(2,3-dichloro-6-hydroxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 175799693
4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one
CID 168659664
methyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate
CID 178128854
4-(aminomethyl)-1-(5-chloro-2-methoxy-4-methylphenyl)pyrrolidin-2-one
CID 83556585
6-(2,3-dichloro-6-methoxyphenyl)-2-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 178128844
3-(aminomethyl)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 82159280
N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide
CID 168659212
4-(aminomethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one;hydrochloride
CID 52988220
1-(2-chloro-6-methoxyphenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168507585
methyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-chlorobenzoate
CID 168659485
1-(3-chloro-4-methoxyphenyl)-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 110018388

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-2-(2,3-dichloro-6-methoxyphenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of 7-(aminomethyl)-2-(2,3-dichloro-6-methoxyphenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 175799720) is 7-(aminomethyl)-2-(2,3-dichloro-6-methoxyphenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for 7-(aminomethyl)-2-(2,3-dichloro-6-methoxyphenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for 7-(aminomethyl)-2-(2,3-dichloro-6-methoxyphenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is COc1ccc(Cl)c(Cl)c1C1CC2CC(CN)CC(=O)N2C1.
What is the InChIKey of 7-(aminomethyl)-2-(2,3-dichloro-6-methoxyphenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is MLBLHKVHTYXJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c1-22-13-3-2-12(17)16(18)15(13)10-6-11-4-9(7-19)5-14(21)20(11)8-10/h2-3,9-11H,4-8,19H2,1H3.
What are the key properties of 7-(aminomethyl)-2-(2,3-dichloro-6-methoxyphenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
7-(aminomethyl)-2-(2,3-dichloro-6-methoxyphenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 343.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-2-(2,3-dichloro-6-methoxyphenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 175799720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).