2-cyclopropylprop-2-enamide

C6H9NO — CID 19352302

IUPAC2-cyclopropylprop-2-enamide
SMILESC=C(C(N)=O)C1CC1
InChIInChI=1S/C6H9NO/c1-4(6(7)8)5-2-3-5/h5H,1-3H2,(H2,7,8)
InChIKeyAVNRGMVELRMJLJ-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.44
Rot. Bonds2

About 2-cyclopropylprop-2-enamide

2-cyclopropylprop-2-enamide (PubChem CID 19352302) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-cyclopropylprop-2-enamide.

Molecular Properties

Compound Name2-cyclopropylprop-2-enamide
PubChem CID19352302
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-cyclopropylprop-2-enamide
SMILESC=C(C(N)=O)C1CC1
InChIInChI=1S/C6H9NO/c1-4(6(7)8)5-2-3-5/h5H,1-3H2,(H2,7,8)
InChIKeyAVNRGMVELRMJLJ-UHFFFAOYSA-N
XLogP0.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylprop-2-enamide?
The IUPAC name of 2-cyclopropylprop-2-enamide (CID 19352302) is 2-cyclopropylprop-2-enamide.
What is the SMILES notation for 2-cyclopropylprop-2-enamide?
The canonical SMILES for 2-cyclopropylprop-2-enamide is C=C(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropylprop-2-enamide?
The InChIKey is AVNRGMVELRMJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-4(6(7)8)5-2-3-5/h5H,1-3H2,(H2,7,8).
What are the key properties of 2-cyclopropylprop-2-enamide?
2-cyclopropylprop-2-enamide has a molecular weight of 111.14 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylprop-2-enamide is sourced from PubChem (CID 19352302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).