ethyl 1-(3-naphthalen-1-ylprop-2-enoyl)pyrrolidine-2-carboxylate

C20H21NO3 — CID 3943281

IUPACethyl 1-(3-naphthalen-1-ylprop-2-enoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)C=Cc1cccc2ccccc12
InChIInChI=1S/C20H21NO3/c1-2-24-20(23)18-11-6-14-21(18)19(22)13-12-16-9-5-8-15-7-3-4-10-17(15)16/h3-5,7-10,12-13,18H,2,6,11,14H2,1H3
InChIKeyIYPVCJDZUMDDTF-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.41
Rot. Bonds4

About ethyl 1-(3-naphthalen-1-ylprop-2-enoyl)pyrrolidine-2-carboxylate

ethyl 1-(3-naphthalen-1-ylprop-2-enoyl)pyrrolidine-2-carboxylate (PubChem CID 3943281) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl 1-(3-naphthalen-1-ylprop-2-enoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-naphthalen-1-ylprop-2-enoyl)pyrrolidine-2-carboxylate
PubChem CID3943281
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Nameethyl 1-(3-naphthalen-1-ylprop-2-enoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)C=Cc1cccc2ccccc12
InChIInChI=1S/C20H21NO3/c1-2-24-20(23)18-11-6-14-21(18)19(22)13-12-16-9-5-8-15-7-3-4-10-17(15)16/h3-5,7-10,12-13,18H,2,6,11,14H2,1H3
InChIKeyIYPVCJDZUMDDTF-UHFFFAOYSA-N
XLogP3.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(3-phenylprop-2-enoyl)pyrrolidine-2-carboxylate
CID 4266846
ethyl 1-[3-(3-methylphenyl)prop-2-enoyl]pyrrolidine-2-carboxylate
CID 76912440
ethyl 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-2-carboxylate
CID 78987166
1-[(E)-3-naphthalen-1-ylprop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 134037190
methyl 1-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylate
CID 43410239
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
N-[[1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073434
methyl (2R)-1-[(E)-3-(2-bromophenyl)prop-2-enoyl]piperidine-2-carboxylate
CID 79835770
(E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one
CID 92921074
(E)-3-naphthalen-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 24617390
ethyl 1-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]pyrrolidine-2-carboxylate
CID 75417316
ethyl 1-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]pyrrolidine-2-carboxylate
CID 91942617

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-naphthalen-1-ylprop-2-enoyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(3-naphthalen-1-ylprop-2-enoyl)pyrrolidine-2-carboxylate (CID 3943281) is ethyl 1-(3-naphthalen-1-ylprop-2-enoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(3-naphthalen-1-ylprop-2-enoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(3-naphthalen-1-ylprop-2-enoyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C(=O)C=Cc1cccc2ccccc12.
What is the InChIKey of ethyl 1-(3-naphthalen-1-ylprop-2-enoyl)pyrrolidine-2-carboxylate?
The InChIKey is IYPVCJDZUMDDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-2-24-20(23)18-11-6-14-21(18)19(22)13-12-16-9-5-8-15-7-3-4-10-17(15)16/h3-5,7-10,12-13,18H,2,6,11,14H2,1H3.
What are the key properties of ethyl 1-(3-naphthalen-1-ylprop-2-enoyl)pyrrolidine-2-carboxylate?
ethyl 1-(3-naphthalen-1-ylprop-2-enoyl)pyrrolidine-2-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-naphthalen-1-ylprop-2-enoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 3943281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).