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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Related Compounds

2-methyl-N-(4-sulfonylcyclohexa-1,5-dien-1-yl)prop-2-enamide
CID 151535056
N-cyclohexa-1,5-dien-1-yl-2-methylprop-2-enamide;molecular hydrogen
CID 144596584
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819
[3-(2-methylprop-2-enoylamino)phenyl]azanium
CID 140585857
5-(2-methylprop-2-enoylamino)benzene-1,3-dicarboxylic acid
CID 773544
2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 89097906
2-methyl-N-(2-methyl-4-pyridinyl)prop-2-enamide
CID 174936648
N-(3-anilinophenyl)-2-methylprop-2-enamide
CID 67511613
2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933208
methylboronic acid;2-methyl-N-phenylprop-2-enamide
CID 159528809
N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 102428329

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).