1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one

C15H30N2O — CID 106021182

IUPAC1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCCCCC(CCC)N1CCC(NC(C)C)C1=O
InChIInChI=1S/C15H30N2O/c1-5-7-9-13(8-6-2)17-11-10-14(15(17)18)16-12(3)4/h12-14,16H,5-11H2,1-4H3
InChIKeyLLBIAHDYCIUZMP-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.94
Rot. Bonds8

About 1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one

1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one (PubChem CID 106021182) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one
PubChem CID106021182
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCCCCC(CCC)N1CCC(NC(C)C)C1=O
InChIInChI=1S/C15H30N2O/c1-5-7-9-13(8-6-2)17-11-10-14(15(17)18)16-12(3)4/h12-14,16H,5-11H2,1-4H3
InChIKeyLLBIAHDYCIUZMP-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one
CID 115672858
3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one
CID 62119682
2-octan-4-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 106027624
3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide
CID 114176608
1-but-3-yn-2-yl-3-(propan-2-ylamino)piperidin-2-one
CID 114420364
1-(1-hydroxy-4-methylpentan-3-yl)-3-(propan-2-ylamino)piperidin-2-one
CID 114178303
2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]hexanoic acid
CID 106257611
5-butyl-3-octan-4-ylimidazolidin-4-one
CID 106021472
4-hydroxy-1-octan-4-ylpyrrolidin-2-one
CID 106021146
3-(4-methylpentan-2-ylamino)-1-propan-2-ylpyrrolidin-2-one
CID 115760869
1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 106305745
1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one
CID 65053200

Frequently Asked Questions

What is the IUPAC name of 1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one (CID 106021182) is 1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one is CCCCC(CCC)N1CCC(NC(C)C)C1=O.
What is the InChIKey of 1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one?
The InChIKey is LLBIAHDYCIUZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-7-9-13(8-6-2)17-11-10-14(15(17)18)16-12(3)4/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one?
1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one has a molecular weight of 254.42 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 106021182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).