N-cyclopropylprop-2-enamide

C6H9NO — CID 10219400

IUPACN-cyclopropylprop-2-enamide
SMILESC=CC(=O)NC1CC1
InChIInChI=1S/C6H9NO/c1-2-6(8)7-5-3-4-5/h2,5H,1,3-4H2,(H,7,8)
InChIKeyLCXIFAOALNZGDO-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.45
Rot. Bonds2

About N-cyclopropylprop-2-enamide

N-cyclopropylprop-2-enamide (PubChem CID 10219400) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is N-cyclopropylprop-2-enamide.

Molecular Properties

Compound NameN-cyclopropylprop-2-enamide
PubChem CID10219400
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC NameN-cyclopropylprop-2-enamide
SMILESC=CC(=O)NC1CC1
InChIInChI=1S/C6H9NO/c1-2-6(8)7-5-3-4-5/h2,5H,1,3-4H2,(H,7,8)
InChIKeyLCXIFAOALNZGDO-UHFFFAOYSA-N
XLogP0.45
TPSA29.10 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 ≤ 50.45
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 N-cyclopropylprop-2-enamide?
The IUPAC name of N-cyclopropylprop-2-enamide (CID 10219400) is N-cyclopropylprop-2-enamide.
What is the SMILES notation for N-cyclopropylprop-2-enamide?
The canonical SMILES for N-cyclopropylprop-2-enamide is C=CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropylprop-2-enamide?
The InChIKey is LCXIFAOALNZGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-6(8)7-5-3-4-5/h2,5H,1,3-4H2,(H,7,8).
What are the key properties of N-cyclopropylprop-2-enamide?
N-cyclopropylprop-2-enamide has a molecular weight of 111.14 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylprop-2-enamide is sourced from PubChem (CID 10219400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).