ethyl 5-methyl-2,3-dihydropyrrole-1-carboxylate

C8H13NO2 — CID 11147842

IUPACethyl 5-methyl-2,3-dihydropyrrole-1-carboxylate
SMILESCCOC(=O)N1CCC=C1C
InChIInChI=1S/C8H13NO2/c1-3-11-8(10)9-6-4-5-7(9)2/h5H,3-4,6H2,1-2H3
InChIKeyZVAJKKGHPIDQBH-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.75
Rot. Bonds1

About ethyl 5-methyl-2,3-dihydropyrrole-1-carboxylate

ethyl 5-methyl-2,3-dihydropyrrole-1-carboxylate (PubChem CID 11147842) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is ethyl 5-methyl-2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2,3-dihydropyrrole-1-carboxylate
PubChem CID11147842
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nameethyl 5-methyl-2,3-dihydropyrrole-1-carboxylate
SMILESCCOC(=O)N1CCC=C1C
InChIInChI=1S/C8H13NO2/c1-3-11-8(10)9-6-4-5-7(9)2/h5H,3-4,6H2,1-2H3
InChIKeyZVAJKKGHPIDQBH-UHFFFAOYSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 12582758
ethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate
CID 11816252
ethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 101149477
ethyl 2-methyl-4H-pyridine-1-carboxylate
CID 13191056
3-Cyclohexa-1,4-dien-1-yl-1,3-oxazolidin-2-one
CID 57073820
Tert-butyl 5-methyl-2,3-dihydropyrrole-1-carboxylate
CID 59764140
butyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 68024234
3-[(E)-hex-2-en-3-yl]-1,3-oxazolidin-2-one
CID 89774518
ethyl N-(1-ethoxypropyl)-N-hexa-3,5-dien-3-ylcarbamate
CID 91420699
3-Pent-2-en-2-yl-1,3-oxazolidin-2-one
CID 123449762
(4E)-4-ethylidene-3-propan-2-yl-1,3-oxazinan-2-one
CID 132226547
tert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate
CID 135171091

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of ethyl 5-methyl-2,3-dihydropyrrole-1-carboxylate (CID 11147842) is ethyl 5-methyl-2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for ethyl 5-methyl-2,3-dihydropyrrole-1-carboxylate is CCOC(=O)N1CCC=C1C.
What is the InChIKey of ethyl 5-methyl-2,3-dihydropyrrole-1-carboxylate?
The InChIKey is ZVAJKKGHPIDQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-11-8(10)9-6-4-5-7(9)2/h5H,3-4,6H2,1-2H3.
What are the key properties of ethyl 5-methyl-2,3-dihydropyrrole-1-carboxylate?
ethyl 5-methyl-2,3-dihydropyrrole-1-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 11147842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).