1-cyclohepta-1,3,4,6-tetraen-1-ylpyrrolidin-2-one;ethane

C15H23NO — CID 143906545

IUPAC1-cyclohepta-1,3,4,6-tetraen-1-ylpyrrolidin-2-one;ethane
SMILESCC.CC.O=C1CCCN1C1=CC=C=CC=C1
InChIInChI=1S/C11H11NO.2C2H6/c13-11-8-5-9-12(11)10-6-3-1-2-4-7-10;2*1-2/h1,3-4,6-7H,5,8-9H2;2*1-2H3
InChIKeyXUJZIQZZCRXQQQ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.83
Rot. Bonds1

About 1-cyclohepta-1,3,4,6-tetraen-1-ylpyrrolidin-2-one;ethane

1-cyclohepta-1,3,4,6-tetraen-1-ylpyrrolidin-2-one;ethane (PubChem CID 143906545) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-cyclohepta-1,3,4,6-tetraen-1-ylpyrrolidin-2-one;ethane.

Molecular Properties

Compound Name1-cyclohepta-1,3,4,6-tetraen-1-ylpyrrolidin-2-one;ethane
PubChem CID143906545
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-cyclohepta-1,3,4,6-tetraen-1-ylpyrrolidin-2-one;ethane
SMILESCC.CC.O=C1CCCN1C1=CC=C=CC=C1
InChIInChI=1S/C11H11NO.2C2H6/c13-11-8-5-9-12(11)10-6-3-1-2-4-7-10;2*1-2/h1,3-4,6-7H,5,8-9H2;2*1-2H3
InChIKeyXUJZIQZZCRXQQQ-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohepta-1,3,4,6-tetraen-1-ylpyrrolidin-2-one;ethane?
The IUPAC name of 1-cyclohepta-1,3,4,6-tetraen-1-ylpyrrolidin-2-one;ethane (CID 143906545) is 1-cyclohepta-1,3,4,6-tetraen-1-ylpyrrolidin-2-one;ethane.
What is the SMILES notation for 1-cyclohepta-1,3,4,6-tetraen-1-ylpyrrolidin-2-one;ethane?
The canonical SMILES for 1-cyclohepta-1,3,4,6-tetraen-1-ylpyrrolidin-2-one;ethane is CC.CC.O=C1CCCN1C1=CC=C=CC=C1.
What is the InChIKey of 1-cyclohepta-1,3,4,6-tetraen-1-ylpyrrolidin-2-one;ethane?
The InChIKey is XUJZIQZZCRXQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO.2C2H6/c13-11-8-5-9-12(11)10-6-3-1-2-4-7-10;2*1-2/h1,3-4,6-7H,5,8-9H2;2*1-2H3.
What are the key properties of 1-cyclohepta-1,3,4,6-tetraen-1-ylpyrrolidin-2-one;ethane?
1-cyclohepta-1,3,4,6-tetraen-1-ylpyrrolidin-2-one;ethane has a molecular weight of 233.35 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohepta-1,3,4,6-tetraen-1-ylpyrrolidin-2-one;ethane is sourced from PubChem (CID 143906545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).