3-cyclohexa-1,5-dien-1-yl-5-methylidenepyrrol-2-one;ethane

C15H23NO — CID 144734707

IUPAC3-cyclohexa-1,5-dien-1-yl-5-methylidenepyrrol-2-one;ethane
SMILESC=C1C=C(C2=CCCC=C2)C(=O)N1.CC.CC
InChIInChI=1S/C11H11NO.2C2H6/c1-8-7-10(11(13)12-8)9-5-3-2-4-6-9;2*1-2/h3,5-7H,1-2,4H2,(H,12,13);2*1-2H3
InChIKeyNYBJYYBADPZPKX-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.89
Rot. Bonds1

About 3-cyclohexa-1,5-dien-1-yl-5-methylidenepyrrol-2-one;ethane

3-cyclohexa-1,5-dien-1-yl-5-methylidenepyrrol-2-one;ethane (PubChem CID 144734707) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-5-methylidenepyrrol-2-one;ethane.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-5-methylidenepyrrol-2-one;ethane
PubChem CID144734707
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-cyclohexa-1,5-dien-1-yl-5-methylidenepyrrol-2-one;ethane
SMILESC=C1C=C(C2=CCCC=C2)C(=O)N1.CC.CC
InChIInChI=1S/C11H11NO.2C2H6/c1-8-7-10(11(13)12-8)9-5-3-2-4-6-9;2*1-2/h3,5-7H,1-2,4H2,(H,12,13);2*1-2H3
InChIKeyNYBJYYBADPZPKX-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-5-methylidenepyrrol-2-one;ethane?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-5-methylidenepyrrol-2-one;ethane (CID 144734707) is 3-cyclohexa-1,5-dien-1-yl-5-methylidenepyrrol-2-one;ethane.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-5-methylidenepyrrol-2-one;ethane?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-5-methylidenepyrrol-2-one;ethane is C=C1C=C(C2=CCCC=C2)C(=O)N1.CC.CC.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-5-methylidenepyrrol-2-one;ethane?
The InChIKey is NYBJYYBADPZPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO.2C2H6/c1-8-7-10(11(13)12-8)9-5-3-2-4-6-9;2*1-2/h3,5-7H,1-2,4H2,(H,12,13);2*1-2H3.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-5-methylidenepyrrol-2-one;ethane?
3-cyclohexa-1,5-dien-1-yl-5-methylidenepyrrol-2-one;ethane has a molecular weight of 233.35 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-5-methylidenepyrrol-2-one;ethane is sourced from PubChem (CID 144734707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).