N-[(Z)-prop-1-enyl]prop-2-enamide

C6H9NO — CID 89246615

IUPACN-[(Z)-prop-1-enyl]prop-2-enamide
SMILESC=CC(=O)N/C=C\C
InChIInChI=1S/C6H9NO/c1-3-5-7-6(8)4-2/h3-5H,2H2,1H3,(H,7,8)/b5-3-
InChIKeySWUGWSQSZUHKIY-HYXAFXHYSA-N
MW111.14 g/mol
LogP0.82
Rot. Bonds2

About N-[(Z)-prop-1-enyl]prop-2-enamide

N-[(Z)-prop-1-enyl]prop-2-enamide (PubChem CID 89246615) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is N-[(Z)-prop-1-enyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(Z)-prop-1-enyl]prop-2-enamide
PubChem CID89246615
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC NameN-[(Z)-prop-1-enyl]prop-2-enamide
SMILESC=CC(=O)N/C=C\C
InChIInChI=1S/C6H9NO/c1-3-5-7-6(8)4-2/h3-5H,2H2,1H3,(H,7,8)/b5-3-
InChIKeySWUGWSQSZUHKIY-HYXAFXHYSA-N
XLogP0.82
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 ≤ 50.82
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-[(Z)-prop-1-enyl]prop-2-enamide?
The IUPAC name of N-[(Z)-prop-1-enyl]prop-2-enamide (CID 89246615) is N-[(Z)-prop-1-enyl]prop-2-enamide.
What is the SMILES notation for N-[(Z)-prop-1-enyl]prop-2-enamide?
The canonical SMILES for N-[(Z)-prop-1-enyl]prop-2-enamide is C=CC(=O)N/C=C\C.
What is the InChIKey of N-[(Z)-prop-1-enyl]prop-2-enamide?
The InChIKey is SWUGWSQSZUHKIY-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-5-7-6(8)4-2/h3-5H,2H2,1H3,(H,7,8)/b5-3-.
What are the key properties of N-[(Z)-prop-1-enyl]prop-2-enamide?
N-[(Z)-prop-1-enyl]prop-2-enamide has a molecular weight of 111.14 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-prop-1-enyl]prop-2-enamide is sourced from PubChem (CID 89246615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).