2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate

C12H17NO3 — CID 23738695

IUPAC2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate
SMILESCN1CCCC1CCOC(=O)c1ccco1
InChIInChI=1S/C12H17NO3/c1-13-7-2-4-10(13)6-9-16-12(14)11-5-3-8-15-11/h3,5,8,10H,2,4,6-7,9H2,1H3
InChIKeyRYQBPLGXEQBCFV-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.92
Rot. Bonds4

About 2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate

2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate (PubChem CID 23738695) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate
PubChem CID23738695
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate
SMILESCN1CCCC1CCOC(=O)c1ccco1
InChIInChI=1S/C12H17NO3/c1-13-7-2-4-10(13)6-9-16-12(14)11-5-3-8-15-11/h3,5,8,10H,2,4,6-7,9H2,1H3
InChIKeyRYQBPLGXEQBCFV-UHFFFAOYSA-N
XLogP1.92
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide
CID 79313317
3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride
CID 3050997
2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate
CID 118218591
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate
CID 107913384
2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate
CID 45267220
2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate
CID 104934308
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] furan-2-carboxylate
CID 2350620
furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870
2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate
CID 107913336
2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate
CID 107913430
2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate
CID 107913432
piperidin-4-ylmethyl furan-2-carboxylate
CID 53410145

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate (CID 23738695) is 2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate is CN1CCCC1CCOC(=O)c1ccco1.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate?
The InChIKey is RYQBPLGXEQBCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-13-7-2-4-10(13)6-9-16-12(14)11-5-3-8-15-11/h3,5,8,10H,2,4,6-7,9H2,1H3.
What are the key properties of 2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate?
2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate has a molecular weight of 223.27 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate is sourced from PubChem (CID 23738695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).