2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid

C7H11NO2 — CID 155310064

IUPAC2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid
SMILESC=C(NC)C1CC1C(=O)O
InChIInChI=1S/C7H11NO2/c1-4(8-2)5-3-6(5)7(9)10/h5-6,8H,1,3H2,2H3,(H,9,10)
InChIKeyDDCFMLBOMJDRSP-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.44
Rot. Bonds3

About 2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid

2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid (PubChem CID 155310064) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid
PubChem CID155310064
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid
SMILESC=C(NC)C1CC1C(=O)O
InChIInChI=1S/C7H11NO2/c1-4(8-2)5-3-6(5)7(9)10/h5-6,8H,1,3H2,2H3,(H,9,10)
InChIKeyDDCFMLBOMJDRSP-UHFFFAOYSA-N
XLogP0.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid (CID 155310064) is 2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid is C=C(NC)C1CC1C(=O)O.
What is the InChIKey of 2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid?
The InChIKey is DDCFMLBOMJDRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4(8-2)5-3-6(5)7(9)10/h5-6,8H,1,3H2,2H3,(H,9,10).
What are the key properties of 2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid?
2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 155310064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).