N-(cyclopropen-1-yl)-2-methylprop-2-enamide

C7H9NO — CID 175360575

IUPACN-(cyclopropen-1-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1=CC1
InChIInChI=1S/C7H9NO/c1-5(2)7(9)8-6-3-4-6/h3H,1,4H2,2H3,(H,8,9)
InChIKeyUPEICUIJAGKJCP-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.97
Rot. Bonds2

About N-(cyclopropen-1-yl)-2-methylprop-2-enamide

N-(cyclopropen-1-yl)-2-methylprop-2-enamide (PubChem CID 175360575) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is N-(cyclopropen-1-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(cyclopropen-1-yl)-2-methylprop-2-enamide
PubChem CID175360575
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC NameN-(cyclopropen-1-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1=CC1
InChIInChI=1S/C7H9NO/c1-5(2)7(9)8-6-3-4-6/h3H,1,4H2,2H3,(H,8,9)
InChIKeyUPEICUIJAGKJCP-UHFFFAOYSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.97
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-(cyclopropen-1-yl)-2-methylprop-2-enamide?
The IUPAC name of N-(cyclopropen-1-yl)-2-methylprop-2-enamide (CID 175360575) is N-(cyclopropen-1-yl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(cyclopropen-1-yl)-2-methylprop-2-enamide?
The canonical SMILES for N-(cyclopropen-1-yl)-2-methylprop-2-enamide is C=C(C)C(=O)NC1=CC1.
What is the InChIKey of N-(cyclopropen-1-yl)-2-methylprop-2-enamide?
The InChIKey is UPEICUIJAGKJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-5(2)7(9)8-6-3-4-6/h3H,1,4H2,2H3,(H,8,9).
What are the key properties of N-(cyclopropen-1-yl)-2-methylprop-2-enamide?
N-(cyclopropen-1-yl)-2-methylprop-2-enamide has a molecular weight of 123.15 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropen-1-yl)-2-methylprop-2-enamide is sourced from PubChem (CID 175360575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).