N-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide

C12H18N2O3 — CID 110011674

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCC(O)c2ccco2)CCCN1
InChIInChI=1S/C12H18N2O3/c1-12(5-3-6-14-12)11(16)13-8-9(15)10-4-2-7-17-10/h2,4,7,9,14-15H,3,5-6,8H2,1H3,(H,13,16)
InChIKeyCAFIKIXXDLLTMH-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.57
Rot. Bonds4

About N-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide (PubChem CID 110011674) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide
PubChem CID110011674
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCC(O)c2ccco2)CCCN1
InChIInChI=1S/C12H18N2O3/c1-12(5-3-6-14-12)11(16)13-8-9(15)10-4-2-7-17-10/h2,4,7,9,14-15H,3,5-6,8H2,1H3,(H,13,16)
InChIKeyCAFIKIXXDLLTMH-UHFFFAOYSA-N
XLogP0.57
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide
CID 110904465
N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 64680133
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 103950434
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2,4,4-trimethylcyclohexyl)urea
CID 111751180
1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 86981034
5-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 110888986
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-2-carboxamide
CID 132850278
N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-methylpyrrolidine-2-carboxamide
CID 110012580
cis-(1S,2R)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 98793149
trans-(1R,2R)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 98793148
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 110893540
N-[2-(furan-2-yl)-2-hydroxyethyl]oxolane-2-carboxamide
CID 110889373

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide (CID 110011674) is N-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide is CC1(C(=O)NCC(O)c2ccco2)CCCN1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide?
The InChIKey is CAFIKIXXDLLTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(5-3-6-14-12)11(16)13-8-9(15)10-4-2-7-17-10/h2,4,7,9,14-15H,3,5-6,8H2,1H3,(H,13,16).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110011674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).