2-Amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one

C11H20N2O — CID 145955754

IUPAC2-amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one
SMILESCCC(C)C(C(=O)N1CCC(=C)C1)N
InChIInChI=1S/C11H20N2O/c1-4-9(3)10(12)11(14)13-6-5-8(2)7-13/h9-10H,2,4-7,12H2,1,3H3
InChIKeyLNJJYZGZCHETKY-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.80
Rot. Bonds3

About 2-Amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one

2-Amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one (PubChem CID 145955754) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-Amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one
PubChem CID145955754
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one
SMILESCCC(C)C(C(=O)N1CCC(=C)C1)N
InChIInChI=1S/C11H20N2O/c1-4-9(3)10(12)11(14)13-6-5-8(2)7-13/h9-10H,2,4-7,12H2,1,3H3
InChIKeyLNJJYZGZCHETKY-UHFFFAOYSA-N
XLogP0.80
TPSA46.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity237

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Pyrrolidine, 1-[(2S,3R)-2-amino-3-methyl-1-oxopentyl]-
CID 9794073
(2S,3S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)pentan-1-one
CID 9796352
2-Amino-3-methyl-1-pyrrolidin-1-yl-pentan-1-one
CID 10130255
(2S,3S)-2-amino-3-methyl-1-(2H-pyrrol-1(5H)-yl)pentan-1-one
CID 10845163
(2S)-2-(2-oxo-4-prop-2-enylpyrrolidin-1-yl)butanamide
CID 9877748
(2S,3S)-2-amino-1-(5,6-dihydropyridin-1(2H)-yl)-3-methylpentan-1-one
CID 10774283
2-Amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-pentan-1-one
CID 44364213
2-Amino-1-(2,5-dihydro-pyrrol-1-yl)-3-methyl-pentan-1-one
CID 44364338
2-Amino-3-methyl-1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 61226616
(2S,3R)-2-amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one;2,2,2-trifluoroacetic acid
CID 127046590
(2S)-2-amino-1-(2,3-dimethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 121554046
(3S)-2-(fluoroamino)-3-methyl-N-(2-methylidenehex-5-enyl)pentanamide
CID 142561248

Frequently Asked Questions

What is the IUPAC name of 2-Amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 2-Amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one (CID 145955754) is 2-amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 2-Amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 2-Amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one is CCC(C)C(C(=O)N1CCC(=C)C1)N.
What is the InChIKey of 2-Amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one?
The InChIKey is LNJJYZGZCHETKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-9(3)10(12)11(14)13-6-5-8(2)7-13/h9-10H,2,4-7,12H2,1,3H3.
What are the key properties of 2-Amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one?
2-Amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one has a molecular weight of 196.29 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 145955754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).