N,N-bis(2-oxopropyl)prop-2-enamide

C9H13NO3 — CID 13190002

IUPACN,N-bis(2-oxopropyl)prop-2-enamide
SMILESC=CC(=O)N(CC(C)=O)CC(C)=O
InChIInChI=1S/C9H13NO3/c1-4-9(13)10(5-7(2)11)6-8(3)12/h4H,1,5-6H2,2-3H3
InChIKeyUXCHKDIVKLAJLN-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.18
Rot. Bonds5

About N,N-bis(2-oxopropyl)prop-2-enamide

N,N-bis(2-oxopropyl)prop-2-enamide (PubChem CID 13190002) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is N,N-bis(2-oxopropyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(2-oxopropyl)prop-2-enamide
PubChem CID13190002
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC NameN,N-bis(2-oxopropyl)prop-2-enamide
SMILESC=CC(=O)N(CC(C)=O)CC(C)=O
InChIInChI=1S/C9H13NO3/c1-4-9(13)10(5-7(2)11)6-8(3)12/h4H,1,5-6H2,2-3H3
InChIKeyUXCHKDIVKLAJLN-UHFFFAOYSA-N
XLogP0.18
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,N-bis(2-oxopropyl)prop-2-enamide?
The IUPAC name of N,N-bis(2-oxopropyl)prop-2-enamide (CID 13190002) is N,N-bis(2-oxopropyl)prop-2-enamide.
What is the SMILES notation for N,N-bis(2-oxopropyl)prop-2-enamide?
The canonical SMILES for N,N-bis(2-oxopropyl)prop-2-enamide is C=CC(=O)N(CC(C)=O)CC(C)=O.
What is the InChIKey of N,N-bis(2-oxopropyl)prop-2-enamide?
The InChIKey is UXCHKDIVKLAJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-4-9(13)10(5-7(2)11)6-8(3)12/h4H,1,5-6H2,2-3H3.
What are the key properties of N,N-bis(2-oxopropyl)prop-2-enamide?
N,N-bis(2-oxopropyl)prop-2-enamide has a molecular weight of 183.21 g/mol, XLogP of 0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-oxopropyl)prop-2-enamide is sourced from PubChem (CID 13190002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).