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

C8H13NO2 — CID 157068029

IUPACpropyl 3,4-dihydro-2H-pyrrole-4-carboxylate
SMILESCCCOC(=O)C1C=NCC1
InChIInChI=1S/C8H13NO2/c1-2-5-11-8(10)7-3-4-9-6-7/h6-7H,2-5H2,1H3
InChIKeyACCJLWWKQJQRQP-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.03
Rot. Bonds3

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

propyl 3,4-dihydro-2H-pyrrole-4-carboxylate (PubChem CID 157068029) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is propyl 3,4-dihydro-2H-pyrrole-4-carboxylate.

Molecular Properties

Compound Namepropyl 3,4-dihydro-2H-pyrrole-4-carboxylate
PubChem CID157068029
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namepropyl 3,4-dihydro-2H-pyrrole-4-carboxylate
SMILESCCCOC(=O)C1C=NCC1
InChIInChI=1S/C8H13NO2/c1-2-5-11-8(10)7-3-4-9-6-7/h6-7H,2-5H2,1H3
InChIKeyACCJLWWKQJQRQP-UHFFFAOYSA-N
XLogP1.03
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 3,4-dihydro-2H-pyrrole-4-carboxylate?
The IUPAC name of propyl 3,4-dihydro-2H-pyrrole-4-carboxylate (CID 157068029) is propyl 3,4-dihydro-2H-pyrrole-4-carboxylate.
What is the SMILES notation for propyl 3,4-dihydro-2H-pyrrole-4-carboxylate?
The canonical SMILES for propyl 3,4-dihydro-2H-pyrrole-4-carboxylate is CCCOC(=O)C1C=NCC1.
What is the InChIKey of propyl 3,4-dihydro-2H-pyrrole-4-carboxylate?
The InChIKey is ACCJLWWKQJQRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-5-11-8(10)7-3-4-9-6-7/h6-7H,2-5H2,1H3.
What are the key properties of propyl 3,4-dihydro-2H-pyrrole-4-carboxylate?
propyl 3,4-dihydro-2H-pyrrole-4-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3,4-dihydro-2H-pyrrole-4-carboxylate is sourced from PubChem (CID 157068029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).