5-[9-(ethylamino)nonanoyl]pyrrolidin-2-one

C15H28N2O2 — CID 58984300

IUPAC5-[9-(ethylamino)nonanoyl]pyrrolidin-2-one
SMILESCCNCCCCCCCCC(=O)C1CCC(=O)N1
InChIInChI=1S/C15H28N2O2/c1-2-16-12-8-6-4-3-5-7-9-14(18)13-10-11-15(19)17-13/h13,16H,2-12H2,1H3,(H,17,19)
InChIKeyKRUVPEMOVOFSQQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.17
Rot. Bonds11

About 5-[9-(ethylamino)nonanoyl]pyrrolidin-2-one

5-[9-(ethylamino)nonanoyl]pyrrolidin-2-one (PubChem CID 58984300) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-[9-(ethylamino)nonanoyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[9-(ethylamino)nonanoyl]pyrrolidin-2-one
PubChem CID58984300
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name5-[9-(ethylamino)nonanoyl]pyrrolidin-2-one
SMILESCCNCCCCCCCCC(=O)C1CCC(=O)N1
InChIInChI=1S/C15H28N2O2/c1-2-16-12-8-6-4-3-5-7-9-14(18)13-10-11-15(19)17-13/h13,16H,2-12H2,1H3,(H,17,19)
InChIKeyKRUVPEMOVOFSQQ-UHFFFAOYSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[9-(ethylamino)nonanoyl]pyrrolidin-2-one?
The IUPAC name of 5-[9-(ethylamino)nonanoyl]pyrrolidin-2-one (CID 58984300) is 5-[9-(ethylamino)nonanoyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[9-(ethylamino)nonanoyl]pyrrolidin-2-one?
The canonical SMILES for 5-[9-(ethylamino)nonanoyl]pyrrolidin-2-one is CCNCCCCCCCCC(=O)C1CCC(=O)N1.
What is the InChIKey of 5-[9-(ethylamino)nonanoyl]pyrrolidin-2-one?
The InChIKey is KRUVPEMOVOFSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-16-12-8-6-4-3-5-7-9-14(18)13-10-11-15(19)17-13/h13,16H,2-12H2,1H3,(H,17,19).
What are the key properties of 5-[9-(ethylamino)nonanoyl]pyrrolidin-2-one?
5-[9-(ethylamino)nonanoyl]pyrrolidin-2-one has a molecular weight of 268.40 g/mol, XLogP of 2.17, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(ethylamino)nonanoyl]pyrrolidin-2-one is sourced from PubChem (CID 58984300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).