3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide

C12H18N2O2 — CID 63140952

IUPAC3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCc2ccco2)CCNC1
InChIInChI=1S/C12H18N2O2/c1-2-12(5-6-13-9-12)11(15)14-8-10-4-3-7-16-10/h3-4,7,13H,2,5-6,8-9H2,1H3,(H,14,15)
InChIKeyLODNVOBCNGLPBB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.29
Rot. Bonds4

About 3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide

3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 63140952) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID63140952
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCc2ccco2)CCNC1
InChIInChI=1S/C12H18N2O2/c1-2-12(5-6-13-9-12)11(15)14-8-10-4-3-7-16-10/h3-4,7,13H,2,5-6,8-9H2,1H3,(H,14,15)
InChIKeyLODNVOBCNGLPBB-UHFFFAOYSA-N
XLogP1.29
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 63130359
N-(furan-2-ylmethyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120647952
3-ethyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 55167016
N-(furan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710906
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide
CID 63134948
N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166669
N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 63141717
3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106384775
2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570610
3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 55165134
1-amino-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60866496
3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141479

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide (CID 63140952) is 3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide is CCC1(C(=O)NCc2ccco2)CCNC1.
What is the InChIKey of 3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is LODNVOBCNGLPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-12(5-6-13-9-12)11(15)14-8-10-4-3-7-16-10/h3-4,7,13H,2,5-6,8-9H2,1H3,(H,14,15).
What are the key properties of 3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide?
3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63140952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).