N-methylpropanamide;prop-2-en-1-ol

C7H15NO2 — CID 174821001

IUPACN-methylpropanamide;prop-2-en-1-ol
SMILESC=CCO.CCC(=O)NC
InChIInChI=1S/C4H9NO.C3H6O/c1-3-4(6)5-2;1-2-3-4/h3H2,1-2H3,(H,5,6);2,4H,1,3H2
InChIKeyDDUAHKZEIZKDMX-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.31
Rot. Bonds2

About N-methylpropanamide;prop-2-en-1-ol

N-methylpropanamide;prop-2-en-1-ol (PubChem CID 174821001) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-methylpropanamide;prop-2-en-1-ol.

Molecular Properties

Compound NameN-methylpropanamide;prop-2-en-1-ol
PubChem CID174821001
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-methylpropanamide;prop-2-en-1-ol
SMILESC=CCO.CCC(=O)NC
InChIInChI=1S/C4H9NO.C3H6O/c1-3-4(6)5-2;1-2-3-4/h3H2,1-2H3,(H,5,6);2,4H,1,3H2
InChIKeyDDUAHKZEIZKDMX-UHFFFAOYSA-N
XLogP0.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methylpropanamide;propane
CID 91316585
CID 160664038
CID 160664038
N-methylbut-3-enamide
CID 13113546
1,3-dimethylurea;1-methyl-3-methylideneurea;N-methylpropanamide
CID 157479441
zinc;bis(N-methylpropanamide);dinitrate
CID 56843871
N-methylpropanamide;1-methylsulfonylpropane
CID 160744917
[2-(methylamino)-2-oxoethyl] prop-2-enoate
CID 141279925
CID 158941313
CID 158941313
but-1-ene;N-methylprop-2-enamide
CID 159446883
[2-(methylamino)-2-oxoethyl] pent-4-enoate
CID 163471503
prop-2-en-1-ol;stannane
CID 173011847
tris(prop-2-en-1-ol);titanium
CID 177430302

Frequently Asked Questions

What is the IUPAC name of N-methylpropanamide;prop-2-en-1-ol?
The IUPAC name of N-methylpropanamide;prop-2-en-1-ol (CID 174821001) is N-methylpropanamide;prop-2-en-1-ol.
What is the SMILES notation for N-methylpropanamide;prop-2-en-1-ol?
The canonical SMILES for N-methylpropanamide;prop-2-en-1-ol is C=CCO.CCC(=O)NC.
What is the InChIKey of N-methylpropanamide;prop-2-en-1-ol?
The InChIKey is DDUAHKZEIZKDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C3H6O/c1-3-4(6)5-2;1-2-3-4/h3H2,1-2H3,(H,5,6);2,4H,1,3H2.
What are the key properties of N-methylpropanamide;prop-2-en-1-ol?
N-methylpropanamide;prop-2-en-1-ol has a molecular weight of 145.20 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpropanamide;prop-2-en-1-ol is sourced from PubChem (CID 174821001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).