1-[2-(cyclohex-3-en-1-ylmethylamino)propyl]pyrrolidin-2-one

C14H24N2O — CID 54865946

IUPAC1-[2-(cyclohex-3-en-1-ylmethylamino)propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCC1CC=CCC1
InChIInChI=1S/C14H24N2O/c1-12(11-16-9-5-8-14(16)17)15-10-13-6-3-2-4-7-13/h2-3,12-13,15H,4-11H2,1H3
InChIKeyXEGJTDYNWYHWET-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.94
Rot. Bonds5

About 1-[2-(cyclohex-3-en-1-ylmethylamino)propyl]pyrrolidin-2-one

1-[2-(cyclohex-3-en-1-ylmethylamino)propyl]pyrrolidin-2-one (PubChem CID 54865946) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[2-(cyclohex-3-en-1-ylmethylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(cyclohex-3-en-1-ylmethylamino)propyl]pyrrolidin-2-one
PubChem CID54865946
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[2-(cyclohex-3-en-1-ylmethylamino)propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCC1CC=CCC1
InChIInChI=1S/C14H24N2O/c1-12(11-16-9-5-8-14(16)17)15-10-13-6-3-2-4-7-13/h2-3,12-13,15H,4-11H2,1H3
InChIKeyXEGJTDYNWYHWET-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-(cyclohex-3-en-1-ylmethylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(cyclohex-3-en-1-ylmethylamino)propyl]pyrrolidin-2-one (CID 54865946) is 1-[2-(cyclohex-3-en-1-ylmethylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(cyclohex-3-en-1-ylmethylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(cyclohex-3-en-1-ylmethylamino)propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NCC1CC=CCC1.
What is the InChIKey of 1-[2-(cyclohex-3-en-1-ylmethylamino)propyl]pyrrolidin-2-one?
The InChIKey is XEGJTDYNWYHWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12(11-16-9-5-8-14(16)17)15-10-13-6-3-2-4-7-13/h2-3,12-13,15H,4-11H2,1H3.
What are the key properties of 1-[2-(cyclohex-3-en-1-ylmethylamino)propyl]pyrrolidin-2-one?
1-[2-(cyclohex-3-en-1-ylmethylamino)propyl]pyrrolidin-2-one has a molecular weight of 236.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohex-3-en-1-ylmethylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 54865946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).