ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate

C10H13NO2 — CID 13077382

IUPACethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate
SMILESCCOC(=O)C1CCn2cccc21
InChIInChI=1S/C10H13NO2/c1-2-13-10(12)8-5-7-11-6-3-4-9(8)11/h3-4,6,8H,2,5,7H2,1H3
InChIKeyYUTCMYFVXRZWMF-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.54
Rot. Bonds2

About ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate

ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate (PubChem CID 13077382) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate
PubChem CID13077382
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Nameethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate
SMILESCCOC(=O)C1CCn2cccc21
InChIInChI=1S/C10H13NO2/c1-2-13-10(12)8-5-7-11-6-3-4-9(8)11/h3-4,6,8H,2,5,7H2,1H3
InChIKeyYUTCMYFVXRZWMF-UHFFFAOYSA-N
XLogP1.54
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylate
CID 23045730
ethyl 6,7-diphenyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 151433800
ethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate
CID 59486375
ethyl 4-[[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 92711961
ethyl 3-benzoyl-2-oxocyclopentane-1-carboxylate
CID 22897624
diethyl 6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1,9-dicarboxylate
CID 70536042
ethyl 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
CID 170903403
ethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate
CID 91161439
ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxylate
CID 131388397
ethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate
CID 4125081
1-O-benzyl 3-O-ethyl 2-oxopyrrolidine-1,3-dicarboxylate
CID 70453490
ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate
CID 14031444

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The IUPAC name of ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate (CID 13077382) is ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate.
What is the SMILES notation for ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The canonical SMILES for ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate is CCOC(=O)C1CCn2cccc21.
What is the InChIKey of ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The InChIKey is YUTCMYFVXRZWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-13-10(12)8-5-7-11-6-3-4-9(8)11/h3-4,6,8H,2,5,7H2,1H3.
What are the key properties of ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate?
ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate has a molecular weight of 179.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate is sourced from PubChem (CID 13077382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).