1-amino-3-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-2-yl]pentan-2-one

C14H26N2O — CID 142059024

IUPAC1-amino-3-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-2-yl]pentan-2-one
SMILESC/C=C\C1CC(C)NC1C(N)C(=O)C(C)CC
InChIInChI=1S/C14H26N2O/c1-5-7-11-8-10(4)16-13(11)12(15)14(17)9(3)6-2/h5,7,9-13,16H,6,8,15H2,1-4H3/b7-5-
InChIKeyVSTUYXJUSOVBFS-ALCCZGGFSA-N
MW238.37 g/mol
LogP1.87
Rot. Bonds5

About 1-amino-3-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-2-yl]pentan-2-one

1-amino-3-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-2-yl]pentan-2-one (PubChem CID 142059024) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-amino-3-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-2-yl]pentan-2-one.

Molecular Properties

Compound Name1-amino-3-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-2-yl]pentan-2-one
PubChem CID142059024
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-amino-3-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-2-yl]pentan-2-one
SMILESC/C=C\C1CC(C)NC1C(N)C(=O)C(C)CC
InChIInChI=1S/C14H26N2O/c1-5-7-11-8-10(4)16-13(11)12(15)14(17)9(3)6-2/h5,7,9-13,16H,6,8,15H2,1-4H3/b7-5-
InChIKeyVSTUYXJUSOVBFS-ALCCZGGFSA-N
XLogP1.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-2-yl]pentan-2-one?
The IUPAC name of 1-amino-3-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-2-yl]pentan-2-one (CID 142059024) is 1-amino-3-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-2-yl]pentan-2-one.
What is the SMILES notation for 1-amino-3-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-2-yl]pentan-2-one?
The canonical SMILES for 1-amino-3-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-2-yl]pentan-2-one is C/C=C\C1CC(C)NC1C(N)C(=O)C(C)CC.
What is the InChIKey of 1-amino-3-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-2-yl]pentan-2-one?
The InChIKey is VSTUYXJUSOVBFS-ALCCZGGFSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-7-11-8-10(4)16-13(11)12(15)14(17)9(3)6-2/h5,7,9-13,16H,6,8,15H2,1-4H3/b7-5-.
What are the key properties of 1-amino-3-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-2-yl]pentan-2-one?
1-amino-3-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-2-yl]pentan-2-one has a molecular weight of 238.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-2-yl]pentan-2-one is sourced from PubChem (CID 142059024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).