ethyl 3-methylidenepyrrolidine-2-carboxylate

C8H13NO2 — CID 23178513

IUPACethyl 3-methylidenepyrrolidine-2-carboxylate
SMILESC=C1CCNC1C(=O)OCC
InChIInChI=1S/C8H13NO2/c1-3-11-8(10)7-6(2)4-5-9-7/h7,9H,2-5H2,1H3
InChIKeySOLNCKDXBKINTR-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.47
Rot. Bonds2

About ethyl 3-methylidenepyrrolidine-2-carboxylate

ethyl 3-methylidenepyrrolidine-2-carboxylate (PubChem CID 23178513) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is ethyl 3-methylidenepyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methylidenepyrrolidine-2-carboxylate
PubChem CID23178513
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nameethyl 3-methylidenepyrrolidine-2-carboxylate
SMILESC=C1CCNC1C(=O)OCC
InChIInChI=1S/C8H13NO2/c1-3-11-8(10)7-6(2)4-5-9-7/h7,9H,2-5H2,1H3
InChIKeySOLNCKDXBKINTR-UHFFFAOYSA-N
XLogP0.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(oxomethylidene)pyrrolidine-2-carboxylate
CID 160845715
ethyl (1S)-2-methylidenecyclobutane-1-carboxylate
CID 66915598
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ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate
CID 124518603
ethyl 4,5,6,7-tetrahydrofuro[2,3-c]pyridine-7-carboxylate
CID 70156183
ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate
CID 157046318
ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-7-carboxylate;hydrochloride
CID 131664469
ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 10242614
ethyl 3-(oxomethylidene)piperazine-2-carboxylate
CID 176536438
ethyl (1R)-6-bromo-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86335904
ethyl 7-(hydroxymethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 121405997

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methylidenepyrrolidine-2-carboxylate?
The IUPAC name of ethyl 3-methylidenepyrrolidine-2-carboxylate (CID 23178513) is ethyl 3-methylidenepyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 3-methylidenepyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 3-methylidenepyrrolidine-2-carboxylate is C=C1CCNC1C(=O)OCC.
What is the InChIKey of ethyl 3-methylidenepyrrolidine-2-carboxylate?
The InChIKey is SOLNCKDXBKINTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-11-8(10)7-6(2)4-5-9-7/h7,9H,2-5H2,1H3.
What are the key properties of ethyl 3-methylidenepyrrolidine-2-carboxylate?
ethyl 3-methylidenepyrrolidine-2-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methylidenepyrrolidine-2-carboxylate is sourced from PubChem (CID 23178513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).