3-ethenyl-2-(methylideneamino)cyclopent-2-en-1-one

C8H9NO — CID 143009671

IUPAC3-ethenyl-2-(methylideneamino)cyclopent-2-en-1-one
SMILESC=CC1=C(N=C)C(=O)CC1
InChIInChI=1S/C8H9NO/c1-3-6-4-5-7(10)8(6)9-2/h3H,1-2,4-5H2
InChIKeyPZMZCLAUFIFTRD-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.49
Rot. Bonds2

About 3-ethenyl-2-(methylideneamino)cyclopent-2-en-1-one

3-ethenyl-2-(methylideneamino)cyclopent-2-en-1-one (PubChem CID 143009671) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 3-ethenyl-2-(methylideneamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-ethenyl-2-(methylideneamino)cyclopent-2-en-1-one
PubChem CID143009671
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name3-ethenyl-2-(methylideneamino)cyclopent-2-en-1-one
SMILESC=CC1=C(N=C)C(=O)CC1
InChIInChI=1S/C8H9NO/c1-3-6-4-5-7(10)8(6)9-2/h3H,1-2,4-5H2
InChIKeyPZMZCLAUFIFTRD-UHFFFAOYSA-N
XLogP1.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-(methylideneamino)cyclopent-2-en-1-one?
The IUPAC name of 3-ethenyl-2-(methylideneamino)cyclopent-2-en-1-one (CID 143009671) is 3-ethenyl-2-(methylideneamino)cyclopent-2-en-1-one.
What is the SMILES notation for 3-ethenyl-2-(methylideneamino)cyclopent-2-en-1-one?
The canonical SMILES for 3-ethenyl-2-(methylideneamino)cyclopent-2-en-1-one is C=CC1=C(N=C)C(=O)CC1.
What is the InChIKey of 3-ethenyl-2-(methylideneamino)cyclopent-2-en-1-one?
The InChIKey is PZMZCLAUFIFTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-3-6-4-5-7(10)8(6)9-2/h3H,1-2,4-5H2.
What are the key properties of 3-ethenyl-2-(methylideneamino)cyclopent-2-en-1-one?
3-ethenyl-2-(methylideneamino)cyclopent-2-en-1-one has a molecular weight of 135.17 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-(methylideneamino)cyclopent-2-en-1-one is sourced from PubChem (CID 143009671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).