propan-2-yl 3,4-dihydro-2H-pyrrole-4-carboxylate

C8H13NO2 — CID 150226581

IUPACpropan-2-yl 3,4-dihydro-2H-pyrrole-4-carboxylate
SMILESCC(C)OC(=O)C1C=NCC1
InChIInChI=1S/C8H13NO2/c1-6(2)11-8(10)7-3-4-9-5-7/h5-7H,3-4H2,1-2H3
InChIKeyFUOYKQDZQQMVCO-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.03
Rot. Bonds2

About propan-2-yl 3,4-dihydro-2H-pyrrole-4-carboxylate

propan-2-yl 3,4-dihydro-2H-pyrrole-4-carboxylate (PubChem CID 150226581) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is propan-2-yl 3,4-dihydro-2H-pyrrole-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3,4-dihydro-2H-pyrrole-4-carboxylate
PubChem CID150226581
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namepropan-2-yl 3,4-dihydro-2H-pyrrole-4-carboxylate
SMILESCC(C)OC(=O)C1C=NCC1
InChIInChI=1S/C8H13NO2/c1-6(2)11-8(10)7-3-4-9-5-7/h5-7H,3-4H2,1-2H3
InChIKeyFUOYKQDZQQMVCO-UHFFFAOYSA-N
XLogP1.03
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze propan-2-yl 3,4-dihydro-2H-pyrrole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-methoxy-3,4-dihydro-2H-pyrrole-4-carboxylate
CID 167739132
Ethyl 3,4-dihydro-2H-pyrrole-4-carboxylate
CID 45089954
ethyl 3,4-dihydro-2H-pyrrole-3-carboxylate
CID 53894507
2-ethoxy-4,5-dihydro-3H-pyrrole-3-carboxylic acid ethyl ester
CID 57713875
3-(2-Methylpropyliminomethyl)oxolan-2-one
CID 91058260
Avatrombopag Impurity 66
CID 118258433
methyl 3,4-dihydro-2H-pyrrole-4-carboxylate
CID 153882519
propyl 3,4-dihydro-2H-pyrrole-4-carboxylate
CID 157068029
Methyl 4-(2-methylpropylideneamino)butanoate
CID 11469329
Ethyl 4-methyl-3,4-dihydro-2H-pyrrole-4-carboxylate
CID 15644038
ethyl (4R)-5-ethoxy-3,4-dihydro-2H-pyrrole-4-carboxylate
CID 129394498
ethyl (4S)-5-ethoxy-3,4-dihydro-2H-pyrrole-4-carboxylate
CID 129394499

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3,4-dihydro-2H-pyrrole-4-carboxylate?
The IUPAC name of propan-2-yl 3,4-dihydro-2H-pyrrole-4-carboxylate (CID 150226581) is propan-2-yl 3,4-dihydro-2H-pyrrole-4-carboxylate.
What is the SMILES notation for propan-2-yl 3,4-dihydro-2H-pyrrole-4-carboxylate?
The canonical SMILES for propan-2-yl 3,4-dihydro-2H-pyrrole-4-carboxylate is CC(C)OC(=O)C1C=NCC1.
What is the InChIKey of propan-2-yl 3,4-dihydro-2H-pyrrole-4-carboxylate?
The InChIKey is FUOYKQDZQQMVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(2)11-8(10)7-3-4-9-5-7/h5-7H,3-4H2,1-2H3.
What are the key properties of propan-2-yl 3,4-dihydro-2H-pyrrole-4-carboxylate?
propan-2-yl 3,4-dihydro-2H-pyrrole-4-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3,4-dihydro-2H-pyrrole-4-carboxylate is sourced from PubChem (CID 150226581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).