ethyl 2,3-dihydropyrrole-1-carboxylate

C7H11NO2 — CID 10931521

IUPACethyl 2,3-dihydropyrrole-1-carboxylate
SMILESCCOC(=O)N1C=CCC1
InChIInChI=1S/C7H11NO2/c1-2-10-7(9)8-5-3-4-6-8/h3,5H,2,4,6H2,1H3
InChIKeyPWRMCZSQYLIXJC-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.36
Rot. Bonds1

About ethyl 2,3-dihydropyrrole-1-carboxylate

ethyl 2,3-dihydropyrrole-1-carboxylate (PubChem CID 10931521) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is ethyl 2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dihydropyrrole-1-carboxylate
PubChem CID10931521
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Nameethyl 2,3-dihydropyrrole-1-carboxylate
SMILESCCOC(=O)N1C=CCC1
InChIInChI=1S/C7H11NO2/c1-2-10-7(9)8-5-3-4-6-8/h3,5H,2,4,6H2,1H3
InChIKeyPWRMCZSQYLIXJC-UHFFFAOYSA-N
XLogP1.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-Butyl 2,3-dihydro-1H-pyrrole-1-carboxylate
CID 10844857
Methyl 1,2,3,4-tetrahydropyridine-1-carboxylate
CID 11469123
1(4H)-pyridinecarboxylic acid, ethyl ester
CID 643367
2,3-Dihydro-pyrrole-1-carboxylic acid methyl ester
CID 2751384
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester
CID 10997267
ethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate
CID 11816252
3-[(E)-but-1-enyl]-1,3-oxazolidin-2-one
CID 50941036
2-Trimethylsilylethyl 2,3-dihydropyrrole-1-carboxylate
CID 135085711
Ethyl 4,5-dihydroazepine-1-carboxylate
CID 12792622
Prop-2-enyl 2,3-dihydropyrrole-1-carboxylate
CID 13861609
propyl 4H-pyridine-1-carboxylate
CID 17998218
propan-2-yl 4H-pyridine-1-carboxylate
CID 22165921

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of ethyl 2,3-dihydropyrrole-1-carboxylate (CID 10931521) is ethyl 2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for ethyl 2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for ethyl 2,3-dihydropyrrole-1-carboxylate is CCOC(=O)N1C=CCC1.
What is the InChIKey of ethyl 2,3-dihydropyrrole-1-carboxylate?
The InChIKey is PWRMCZSQYLIXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-10-7(9)8-5-3-4-6-8/h3,5H,2,4,6H2,1H3.
What are the key properties of ethyl 2,3-dihydropyrrole-1-carboxylate?
ethyl 2,3-dihydropyrrole-1-carboxylate has a molecular weight of 141.17 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 10931521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).