2-(cyclopropanecarboximidoyl)prop-2-enoic acid

C7H9NO2 — CID 155281034

IUPAC2-(cyclopropanecarboximidoyl)prop-2-enoic acid
SMILES[H]/N=C(/C(=C)C(=O)O)C1CC1
InChIInChI=1S/C7H9NO2/c1-4(7(9)10)6(8)5-2-3-5/h5,8H,1-3H2,(H,9,10)/b8-6-
InChIKeyWICWWNCZHGRYFG-VURMDHGXSA-N
MW139.15 g/mol
LogP1.06
Rot. Bonds3

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

2-(cyclopropanecarboximidoyl)prop-2-enoic acid (PubChem CID 155281034) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-(cyclopropanecarboximidoyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(cyclopropanecarboximidoyl)prop-2-enoic acid
PubChem CID155281034
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2-(cyclopropanecarboximidoyl)prop-2-enoic acid
SMILES[H]/N=C(/C(=C)C(=O)O)C1CC1
InChIInChI=1S/C7H9NO2/c1-4(7(9)10)6(8)5-2-3-5/h5,8H,1-3H2,(H,9,10)/b8-6-
InChIKeyWICWWNCZHGRYFG-VURMDHGXSA-N
XLogP1.06
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.06
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-(cyclopropanecarboximidoyl)prop-2-enoic acid?
The IUPAC name of 2-(cyclopropanecarboximidoyl)prop-2-enoic acid (CID 155281034) is 2-(cyclopropanecarboximidoyl)prop-2-enoic acid.
What is the SMILES notation for 2-(cyclopropanecarboximidoyl)prop-2-enoic acid?
The canonical SMILES for 2-(cyclopropanecarboximidoyl)prop-2-enoic acid is [H]/N=C(/C(=C)C(=O)O)C1CC1.
What is the InChIKey of 2-(cyclopropanecarboximidoyl)prop-2-enoic acid?
The InChIKey is WICWWNCZHGRYFG-VURMDHGXSA-N. The full InChI is InChI=1S/C7H9NO2/c1-4(7(9)10)6(8)5-2-3-5/h5,8H,1-3H2,(H,9,10)/b8-6-.
What are the key properties of 2-(cyclopropanecarboximidoyl)prop-2-enoic acid?
2-(cyclopropanecarboximidoyl)prop-2-enoic acid has a molecular weight of 139.15 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarboximidoyl)prop-2-enoic acid is sourced from PubChem (CID 155281034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).