N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide

C12H18N2O2 — CID 81400915

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N[C@@H](C)c1ccco1
InChIInChI=1S/C12H18N2O2/c1-8-6-13-7-10(8)12(15)14-9(2)11-4-3-5-16-11/h3-5,8-10,13H,6-7H2,1-2H3,(H,14,15)/t8?,9-,10?/m0/s1
InChIKeySKPLOIXTJIAUFF-KYHHOPLUSA-N
MW222.29 g/mol
LogP1.31
Rot. Bonds3

About N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide

N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 81400915) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID81400915
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N[C@@H](C)c1ccco1
InChIInChI=1S/C12H18N2O2/c1-8-6-13-7-10(8)12(15)14-9(2)11-4-3-5-16-11/h3-5,8-10,13H,6-7H2,1-2H3,(H,14,15)/t8?,9-,10?/m0/s1
InChIKeySKPLOIXTJIAUFF-KYHHOPLUSA-N
XLogP1.31
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 114084833
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81349399
N-[1-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 43535349
(1S,6R)-6-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 93037484
2-(azetidin-3-yl)-N-[1-(furan-2-yl)ethyl]propanamide
CID 116674875
N-[1-(furan-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015111
2-(azetidin-3-yl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 81399568
(3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 81399564
N-[(1S)-1-(furan-2-yl)ethyl]morpholine-2-carboxamide
CID 81400797
N-[1-(2-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55228822
N-[(1S)-1-(furan-2-yl)ethyl]azetidine-2-carboxamide
CID 130949858
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81371897

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide (CID 81400915) is N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)N[C@@H](C)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is SKPLOIXTJIAUFF-KYHHOPLUSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-6-13-7-10(8)12(15)14-9(2)11-4-3-5-16-11/h3-5,8-10,13H,6-7H2,1-2H3,(H,14,15)/t8?,9-,10?/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide?
N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 81400915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).