N-methyl-N-[(Z)-4-oxopent-2-en-2-yl]propanamide

C9H15NO2 — CID 59963044

IUPACN-methyl-N-[(Z)-4-oxopent-2-en-2-yl]propanamide
SMILESCCC(=O)N(C)/C(C)=C\C(C)=O
InChIInChI=1S/C9H15NO2/c1-5-9(12)10(4)7(2)6-8(3)11/h6H,5H2,1-4H3/b7-6-
InChIKeyBBHOYWLVNHEEBY-SREVYHEPSA-N
MW169.22 g/mol
LogP1.35
Rot. Bonds3

About N-methyl-N-[(Z)-4-oxopent-2-en-2-yl]propanamide

N-methyl-N-[(Z)-4-oxopent-2-en-2-yl]propanamide (PubChem CID 59963044) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-methyl-N-[(Z)-4-oxopent-2-en-2-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-[(Z)-4-oxopent-2-en-2-yl]propanamide
PubChem CID59963044
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-methyl-N-[(Z)-4-oxopent-2-en-2-yl]propanamide
SMILESCCC(=O)N(C)/C(C)=C\C(C)=O
InChIInChI=1S/C9H15NO2/c1-5-9(12)10(4)7(2)6-8(3)11/h6H,5H2,1-4H3/b7-6-
InChIKeyBBHOYWLVNHEEBY-SREVYHEPSA-N
XLogP1.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-N-[(Z)-4-oxopent-2-en-2-yl]propanamide?
The IUPAC name of N-methyl-N-[(Z)-4-oxopent-2-en-2-yl]propanamide (CID 59963044) is N-methyl-N-[(Z)-4-oxopent-2-en-2-yl]propanamide.
What is the SMILES notation for N-methyl-N-[(Z)-4-oxopent-2-en-2-yl]propanamide?
The canonical SMILES for N-methyl-N-[(Z)-4-oxopent-2-en-2-yl]propanamide is CCC(=O)N(C)/C(C)=C\C(C)=O.
What is the InChIKey of N-methyl-N-[(Z)-4-oxopent-2-en-2-yl]propanamide?
The InChIKey is BBHOYWLVNHEEBY-SREVYHEPSA-N. The full InChI is InChI=1S/C9H15NO2/c1-5-9(12)10(4)7(2)6-8(3)11/h6H,5H2,1-4H3/b7-6-.
What are the key properties of N-methyl-N-[(Z)-4-oxopent-2-en-2-yl]propanamide?
N-methyl-N-[(Z)-4-oxopent-2-en-2-yl]propanamide has a molecular weight of 169.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-4-oxopent-2-en-2-yl]propanamide is sourced from PubChem (CID 59963044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).