butan-1-imine;prop-2-enamide

C7H14N2O — CID 175251221

IUPACbutan-1-imine;prop-2-enamide
SMILESC=CC(N)=O.[H]/N=C/CCC
InChIInChI=1S/C4H9N.C3H5NO/c1-2-3-4-5;1-2-3(4)5/h4-5H,2-3H2,1H3;2H,1H2,(H2,4,5)/b5-4+;
InChIKeyCUDGAHFHUAKYSY-FXRZFVDSSA-N
MW142.20 g/mol
LogP1.09
Rot. Bonds3

About butan-1-imine;prop-2-enamide

butan-1-imine;prop-2-enamide (PubChem CID 175251221) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is butan-1-imine;prop-2-enamide.

Molecular Properties

Compound Namebutan-1-imine;prop-2-enamide
PubChem CID175251221
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Namebutan-1-imine;prop-2-enamide
SMILESC=CC(N)=O.[H]/N=C/CCC
InChIInChI=1S/C4H9N.C3H5NO/c1-2-3-4-5;1-2-3(4)5/h4-5H,2-3H2,1H3;2H,1H2,(H2,4,5)/b5-4+;
InChIKeyCUDGAHFHUAKYSY-FXRZFVDSSA-N
XLogP1.09
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butan-1-imine;prop-2-enamide?
The IUPAC name of butan-1-imine;prop-2-enamide (CID 175251221) is butan-1-imine;prop-2-enamide.
What is the SMILES notation for butan-1-imine;prop-2-enamide?
The canonical SMILES for butan-1-imine;prop-2-enamide is C=CC(N)=O.[H]/N=C/CCC.
What is the InChIKey of butan-1-imine;prop-2-enamide?
The InChIKey is CUDGAHFHUAKYSY-FXRZFVDSSA-N. The full InChI is InChI=1S/C4H9N.C3H5NO/c1-2-3-4-5;1-2-3(4)5/h4-5H,2-3H2,1H3;2H,1H2,(H2,4,5)/b5-4+;.
What are the key properties of butan-1-imine;prop-2-enamide?
butan-1-imine;prop-2-enamide has a molecular weight of 142.20 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-imine;prop-2-enamide is sourced from PubChem (CID 175251221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).