ethyl 4-ethyl-3,4-dihydro-2H-pyrrole-2-carboxylate

C9H15NO2 — CID 123263588

IUPACethyl 4-ethyl-3,4-dihydro-2H-pyrrole-2-carboxylate
SMILESCCOC(=O)C1CC(CC)C=N1
InChIInChI=1S/C9H15NO2/c1-3-7-5-8(10-6-7)9(11)12-4-2/h6-8H,3-5H2,1-2H3
InChIKeyPNNIFQLRJBJOLO-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.42
Rot. Bonds3

About ethyl 4-ethyl-3,4-dihydro-2H-pyrrole-2-carboxylate

ethyl 4-ethyl-3,4-dihydro-2H-pyrrole-2-carboxylate (PubChem CID 123263588) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is ethyl 4-ethyl-3,4-dihydro-2H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-3,4-dihydro-2H-pyrrole-2-carboxylate
PubChem CID123263588
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameethyl 4-ethyl-3,4-dihydro-2H-pyrrole-2-carboxylate
SMILESCCOC(=O)C1CC(CC)C=N1
InChIInChI=1S/C9H15NO2/c1-3-7-5-8(10-6-7)9(11)12-4-2/h6-8H,3-5H2,1-2H3
InChIKeyPNNIFQLRJBJOLO-UHFFFAOYSA-N
XLogP1.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate
CID 72965039
ethyl (1S,3S,4R,6S)-3,4-dihydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 98525001
ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate
CID 45090189
ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 23508762
ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328
ethyl (3S)-3,4-dihydropyridazine-3-carboxylate
CID 97303961
cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
CID 165354551
ethyl 3,4-dihydroxycyclohexane-1-carboxylate
CID 134861534
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 124506439
ethyl 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 57152034

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-ethyl-3,4-dihydro-2H-pyrrole-2-carboxylate (CID 123263588) is ethyl 4-ethyl-3,4-dihydro-2H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-ethyl-3,4-dihydro-2H-pyrrole-2-carboxylate is CCOC(=O)C1CC(CC)C=N1.
What is the InChIKey of ethyl 4-ethyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
The InChIKey is PNNIFQLRJBJOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-7-5-8(10-6-7)9(11)12-4-2/h6-8H,3-5H2,1-2H3.
What are the key properties of ethyl 4-ethyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
ethyl 4-ethyl-3,4-dihydro-2H-pyrrole-2-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-3,4-dihydro-2H-pyrrole-2-carboxylate is sourced from PubChem (CID 123263588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).