methyl 1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-carboxylate

C13H14N2O3 — CID 103702822

IUPACmethyl 1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2nccc3occc23)C1
InChIInChI=1S/C13H14N2O3/c1-17-13(16)9-3-6-15(8-9)12-10-4-7-18-11(10)2-5-14-12/h2,4-5,7,9H,3,6,8H2,1H3
InChIKeyPEEPPFAOCGXTRQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.83
Rot. Bonds2

About methyl 1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-carboxylate

methyl 1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-carboxylate (PubChem CID 103702822) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-carboxylate
PubChem CID103702822
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2nccc3occc23)C1
InChIInChI=1S/C13H14N2O3/c1-17-13(16)9-3-6-15(8-9)12-10-4-7-18-11(10)2-5-14-12/h2,4-5,7,9H,3,6,8H2,1H3
InChIKeyPEEPPFAOCGXTRQ-UHFFFAOYSA-N
XLogP1.83
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate
CID 99636617
(3R)-1-furo[3,2-c]pyridin-4-ylpyrrolidin-3-amine
CID 129414537
1-furo[3,2-c]pyridin-4-yl-N-methylpyrrolidin-3-amine
CID 106535363
N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)acetamide
CID 171328135
4-(3-bromopyrrolidin-1-yl)furo[3,2-c]pyridine
CID 106535691
4-(3-chloro-4-methylpiperidin-1-yl)furo[3,2-c]pyridine
CID 106535762
N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine
CID 106535576
1-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-1,3,3-trimethylurea
CID 166603589
4-[3-(chloromethyl)pyrrolidin-1-yl]furo[3,2-c]pyridine
CID 106535647
methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate
CID 79033439
(3R)-N-ethyl-1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-sulfonamide
CID 97158066
tert-butyl N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]carbamate
CID 84595915

Frequently Asked Questions

What is the IUPAC name of methyl 1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-carboxylate (CID 103702822) is methyl 1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-carboxylate is COC(=O)C1CCN(c2nccc3occc23)C1.
What is the InChIKey of methyl 1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-carboxylate?
The InChIKey is PEEPPFAOCGXTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-17-13(16)9-3-6-15(8-9)12-10-4-7-18-11(10)2-5-14-12/h2,4-5,7,9H,3,6,8H2,1H3.
What are the key properties of methyl 1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-carboxylate?
methyl 1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 103702822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).