ethyl 6-methyl-5-(1-methyl-5-propan-2-ylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate

C20H26N2O3 — CID 70410426

IUPACethyl 6-methyl-5-(1-methyl-5-propan-2-ylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate
SMILESCCOC(=O)C1CCn2c1cc(C)c2C(=O)c1ccc(C(C)C)n1C
InChIInChI=1S/C20H26N2O3/c1-6-25-20(24)14-9-10-22-17(14)11-13(4)18(22)19(23)16-8-7-15(12(2)3)21(16)5/h7-8,11-12,14H,6,9-10H2,1-5H3
InChIKeyBEVKUOQJMHFGRM-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.54
Rot. Bonds5

About ethyl 6-methyl-5-(1-methyl-5-propan-2-ylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate

ethyl 6-methyl-5-(1-methyl-5-propan-2-ylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate (PubChem CID 70410426) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is ethyl 6-methyl-5-(1-methyl-5-propan-2-ylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-5-(1-methyl-5-propan-2-ylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate
PubChem CID70410426
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Nameethyl 6-methyl-5-(1-methyl-5-propan-2-ylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate
SMILESCCOC(=O)C1CCn2c1cc(C)c2C(=O)c1ccc(C(C)C)n1C
InChIInChI=1S/C20H26N2O3/c1-6-25-20(24)14-9-10-22-17(14)11-13(4)18(22)19(23)16-8-7-15(12(2)3)21(16)5/h7-8,11-12,14H,6,9-10H2,1-5H3
InChIKeyBEVKUOQJMHFGRM-UHFFFAOYSA-N
XLogP3.54
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 6-methyl-5-(1-methyl-5-propan-2-ylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate with MolForge

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Related Compounds

6-methyl-5-(1-methyl-5-propoxypyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 70410413
diethyl 5-(5-chloro-1-methylpyrrole-2-carbonyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylate
CID 13424023
2-hydroxypropyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 129318720
ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 13077382
ethyl 5-bromo-7,8-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylate
CID 170426679
2-[(1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl]oxyacetic acid
CID 124780812
ethyl (2S,3S)-2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]-3-methylpentanoate
CID 25148351
ethyl 3-benzoyl-2-oxocyclopentane-1-carboxylate
CID 22897624
ethyl 5-(diethylamino)-2,3-dihydro-1H-indene-1-carboxylate
CID 163529307
ethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]-4-methylpentanoate
CID 44581858
ethyl 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
CID 170903403
ethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]acetate
CID 25148271

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-5-(1-methyl-5-propan-2-ylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The IUPAC name of ethyl 6-methyl-5-(1-methyl-5-propan-2-ylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate (CID 70410426) is ethyl 6-methyl-5-(1-methyl-5-propan-2-ylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate.
What is the SMILES notation for ethyl 6-methyl-5-(1-methyl-5-propan-2-ylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The canonical SMILES for ethyl 6-methyl-5-(1-methyl-5-propan-2-ylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate is CCOC(=O)C1CCn2c1cc(C)c2C(=O)c1ccc(C(C)C)n1C.
What is the InChIKey of ethyl 6-methyl-5-(1-methyl-5-propan-2-ylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The InChIKey is BEVKUOQJMHFGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-6-25-20(24)14-9-10-22-17(14)11-13(4)18(22)19(23)16-8-7-15(12(2)3)21(16)5/h7-8,11-12,14H,6,9-10H2,1-5H3.
What are the key properties of ethyl 6-methyl-5-(1-methyl-5-propan-2-ylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
ethyl 6-methyl-5-(1-methyl-5-propan-2-ylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-5-(1-methyl-5-propan-2-ylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate is sourced from PubChem (CID 70410426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).