2-(cyclobutanecarboximidoyl)prop-2-enoic acid

C8H11NO2 — CID 155280922

IUPAC2-(cyclobutanecarboximidoyl)prop-2-enoic acid
SMILES[H]/N=C(/C(=C)C(=O)O)C1CCC1
InChIInChI=1S/C8H11NO2/c1-5(8(10)11)7(9)6-3-2-4-6/h6,9H,1-4H2,(H,10,11)/b9-7-
InChIKeyUOQYMBAXGIYOCV-CLFYSBASSA-N
MW153.18 g/mol
LogP1.45
Rot. Bonds3

About 2-(cyclobutanecarboximidoyl)prop-2-enoic acid

2-(cyclobutanecarboximidoyl)prop-2-enoic acid (PubChem CID 155280922) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(cyclobutanecarboximidoyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(cyclobutanecarboximidoyl)prop-2-enoic acid
PubChem CID155280922
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-(cyclobutanecarboximidoyl)prop-2-enoic acid
SMILES[H]/N=C(/C(=C)C(=O)O)C1CCC1
InChIInChI=1S/C8H11NO2/c1-5(8(10)11)7(9)6-3-2-4-6/h6,9H,1-4H2,(H,10,11)/b9-7-
InChIKeyUOQYMBAXGIYOCV-CLFYSBASSA-N
XLogP1.45
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutanecarboximidoyl)prop-2-enoic acid?
The IUPAC name of 2-(cyclobutanecarboximidoyl)prop-2-enoic acid (CID 155280922) is 2-(cyclobutanecarboximidoyl)prop-2-enoic acid.
What is the SMILES notation for 2-(cyclobutanecarboximidoyl)prop-2-enoic acid?
The canonical SMILES for 2-(cyclobutanecarboximidoyl)prop-2-enoic acid is [H]/N=C(/C(=C)C(=O)O)C1CCC1.
What is the InChIKey of 2-(cyclobutanecarboximidoyl)prop-2-enoic acid?
The InChIKey is UOQYMBAXGIYOCV-CLFYSBASSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5(8(10)11)7(9)6-3-2-4-6/h6,9H,1-4H2,(H,10,11)/b9-7-.
What are the key properties of 2-(cyclobutanecarboximidoyl)prop-2-enoic acid?
2-(cyclobutanecarboximidoyl)prop-2-enoic acid has a molecular weight of 153.18 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutanecarboximidoyl)prop-2-enoic acid is sourced from PubChem (CID 155280922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).