4-amino-5-(furan-2-yl)-1-(3-methylbutyl)pyrrolidin-2-one

C13H20N2O2 — CID 82193266

IUPAC4-amino-5-(furan-2-yl)-1-(3-methylbutyl)pyrrolidin-2-one
SMILESCC(C)CCN1C(=O)CC(N)C1c1ccco1
InChIInChI=1S/C13H20N2O2/c1-9(2)5-6-15-12(16)8-10(14)13(15)11-4-3-7-17-11/h3-4,7,9-10,13H,5-6,8,14H2,1-2H3
InChIKeyLDIFVRTWURNVHD-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.93
Rot. Bonds4

About 4-amino-5-(furan-2-yl)-1-(3-methylbutyl)pyrrolidin-2-one

4-amino-5-(furan-2-yl)-1-(3-methylbutyl)pyrrolidin-2-one (PubChem CID 82193266) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-amino-5-(furan-2-yl)-1-(3-methylbutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-5-(furan-2-yl)-1-(3-methylbutyl)pyrrolidin-2-one
PubChem CID82193266
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-amino-5-(furan-2-yl)-1-(3-methylbutyl)pyrrolidin-2-one
SMILESCC(C)CCN1C(=O)CC(N)C1c1ccco1
InChIInChI=1S/C13H20N2O2/c1-9(2)5-6-15-12(16)8-10(14)13(15)11-4-3-7-17-11/h3-4,7,9-10,13H,5-6,8,14H2,1-2H3
InChIKeyLDIFVRTWURNVHD-UHFFFAOYSA-N
XLogP1.93
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-butyl-5-(2-chlorophenyl)pyrrolidin-2-one
CID 82193209
4-amino-1-butyl-5-(2-fluorophenyl)pyrrolidin-2-one
CID 82193210
5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one
CID 82193456
[(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 96744208
(2R)-2-(furan-2-yl)-3-[2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 92530307
(4R)-1-benzyl-4-(furan-2-yl)pyrrolidin-2-one
CID 102377410
4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 117022057
3-ethyl-2-(furan-2-yl)-1,3-thiazolidin-4-one
CID 3800198
(2R,6S,7S,9R,13S,14S)-7,14-bis(furan-2-yl)-4,11-dimethyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 124724599
5-methoxy-4-methyl-1-(3-methylbutyl)pyrrolidin-2-one
CID 91098046
ethyl (4S,7R)-2-amino-7-(furan-2-yl)-1'-(3-methylbutyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
CID 29111843
2-(furan-2-yl)-4-hydroxy-1-(3-hydroxypropyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 43859945

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(furan-2-yl)-1-(3-methylbutyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-5-(furan-2-yl)-1-(3-methylbutyl)pyrrolidin-2-one (CID 82193266) is 4-amino-5-(furan-2-yl)-1-(3-methylbutyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-5-(furan-2-yl)-1-(3-methylbutyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-5-(furan-2-yl)-1-(3-methylbutyl)pyrrolidin-2-one is CC(C)CCN1C(=O)CC(N)C1c1ccco1.
What is the InChIKey of 4-amino-5-(furan-2-yl)-1-(3-methylbutyl)pyrrolidin-2-one?
The InChIKey is LDIFVRTWURNVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)5-6-15-12(16)8-10(14)13(15)11-4-3-7-17-11/h3-4,7,9-10,13H,5-6,8,14H2,1-2H3.
What are the key properties of 4-amino-5-(furan-2-yl)-1-(3-methylbutyl)pyrrolidin-2-one?
4-amino-5-(furan-2-yl)-1-(3-methylbutyl)pyrrolidin-2-one has a molecular weight of 236.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(furan-2-yl)-1-(3-methylbutyl)pyrrolidin-2-one is sourced from PubChem (CID 82193266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).