ethyl 2-methyl-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate

C19H21NO3 — CID 46944060

IUPACethyl 2-methyl-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1(C)CCCN1C(=O)c1cccc2ccccc12
InChIInChI=1S/C19H21NO3/c1-3-23-18(22)19(2)12-7-13-20(19)17(21)16-11-6-9-14-8-4-5-10-15(14)16/h4-6,8-11H,3,7,12-13H2,1-2H3
InChIKeyJJDIJAURSLBZMH-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.40
Rot. Bonds3

About ethyl 2-methyl-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate

ethyl 2-methyl-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 46944060) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl 2-methyl-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate
PubChem CID46944060
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Nameethyl 2-methyl-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1(C)CCCN1C(=O)c1cccc2ccccc12
InChIInChI=1S/C19H21NO3/c1-3-23-18(22)19(2)12-7-13-20(19)17(21)16-11-6-9-14-8-4-5-10-15(14)16/h4-6,8-11H,3,7,12-13H2,1-2H3
InChIKeyJJDIJAURSLBZMH-UHFFFAOYSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 2-methyl-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate (CID 46944060) is ethyl 2-methyl-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 2-methyl-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 2-methyl-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate is CCOC(=O)C1(C)CCCN1C(=O)c1cccc2ccccc12.
What is the InChIKey of ethyl 2-methyl-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is JJDIJAURSLBZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-23-18(22)19(2)12-7-13-20(19)17(21)16-11-6-9-14-8-4-5-10-15(14)16/h4-6,8-11H,3,7,12-13H2,1-2H3.
What are the key properties of ethyl 2-methyl-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate?
ethyl 2-methyl-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 46944060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).