1-pyrrolidin-3-yloct-7-en-1-one

C12H21NO — CID 107010858

IUPAC1-pyrrolidin-3-yloct-7-en-1-one
SMILESC=CCCCCCC(=O)C1CCNC1
InChIInChI=1S/C12H21NO/c1-2-3-4-5-6-7-12(14)11-8-9-13-10-11/h2,11,13H,1,3-10H2
InChIKeyCYEWDYPZMDELPI-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.30
Rot. Bonds7

About 1-pyrrolidin-3-yloct-7-en-1-one

1-pyrrolidin-3-yloct-7-en-1-one (PubChem CID 107010858) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-pyrrolidin-3-yloct-7-en-1-one.

Molecular Properties

Compound Name1-pyrrolidin-3-yloct-7-en-1-one
PubChem CID107010858
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-pyrrolidin-3-yloct-7-en-1-one
SMILESC=CCCCCCC(=O)C1CCNC1
InChIInChI=1S/C12H21NO/c1-2-3-4-5-6-7-12(14)11-8-9-13-10-11/h2,11,13H,1,3-10H2
InChIKeyCYEWDYPZMDELPI-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-yloct-7-en-1-one?
The IUPAC name of 1-pyrrolidin-3-yloct-7-en-1-one (CID 107010858) is 1-pyrrolidin-3-yloct-7-en-1-one.
What is the SMILES notation for 1-pyrrolidin-3-yloct-7-en-1-one?
The canonical SMILES for 1-pyrrolidin-3-yloct-7-en-1-one is C=CCCCCCC(=O)C1CCNC1.
What is the InChIKey of 1-pyrrolidin-3-yloct-7-en-1-one?
The InChIKey is CYEWDYPZMDELPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-4-5-6-7-12(14)11-8-9-13-10-11/h2,11,13H,1,3-10H2.
What are the key properties of 1-pyrrolidin-3-yloct-7-en-1-one?
1-pyrrolidin-3-yloct-7-en-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-yloct-7-en-1-one is sourced from PubChem (CID 107010858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).