5-ethyl-1-pyrrolidin-2-yldec-1-en-3-one

C16H29NO — CID 123649688

IUPAC5-ethyl-1-pyrrolidin-2-yldec-1-en-3-one
SMILESCCCCCC(CC)CC(=O)C=CC1CCCN1
InChIInChI=1S/C16H29NO/c1-3-5-6-8-14(4-2)13-16(18)11-10-15-9-7-12-17-15/h10-11,14-15,17H,3-9,12-13H2,1-2H3
InChIKeyRTUYTWRSAMQYPX-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.86
Rot. Bonds9

About 5-ethyl-1-pyrrolidin-2-yldec-1-en-3-one

5-ethyl-1-pyrrolidin-2-yldec-1-en-3-one (PubChem CID 123649688) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 5-ethyl-1-pyrrolidin-2-yldec-1-en-3-one.

Molecular Properties

Compound Name5-ethyl-1-pyrrolidin-2-yldec-1-en-3-one
PubChem CID123649688
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name5-ethyl-1-pyrrolidin-2-yldec-1-en-3-one
SMILESCCCCCC(CC)CC(=O)C=CC1CCCN1
InChIInChI=1S/C16H29NO/c1-3-5-6-8-14(4-2)13-16(18)11-10-15-9-7-12-17-15/h10-11,14-15,17H,3-9,12-13H2,1-2H3
InChIKeyRTUYTWRSAMQYPX-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-pyrrolidin-2-yldec-1-en-3-one?
The IUPAC name of 5-ethyl-1-pyrrolidin-2-yldec-1-en-3-one (CID 123649688) is 5-ethyl-1-pyrrolidin-2-yldec-1-en-3-one.
What is the SMILES notation for 5-ethyl-1-pyrrolidin-2-yldec-1-en-3-one?
The canonical SMILES for 5-ethyl-1-pyrrolidin-2-yldec-1-en-3-one is CCCCCC(CC)CC(=O)C=CC1CCCN1.
What is the InChIKey of 5-ethyl-1-pyrrolidin-2-yldec-1-en-3-one?
The InChIKey is RTUYTWRSAMQYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-5-6-8-14(4-2)13-16(18)11-10-15-9-7-12-17-15/h10-11,14-15,17H,3-9,12-13H2,1-2H3.
What are the key properties of 5-ethyl-1-pyrrolidin-2-yldec-1-en-3-one?
5-ethyl-1-pyrrolidin-2-yldec-1-en-3-one has a molecular weight of 251.41 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-pyrrolidin-2-yldec-1-en-3-one is sourced from PubChem (CID 123649688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).