N-formylprop-2-enamide;bis(propan-2-one)

C10H17NO4 — CID 22614021

IUPACN-formylprop-2-enamide;bis(propan-2-one)
SMILESC=CC(=O)NC=O.CC(C)=O.CC(C)=O
InChIInChI=1S/C4H5NO2.2C3H6O/c1-2-4(7)5-3-6;2*1-3(2)4/h2-3H,1H2,(H,5,6,7);2*1-2H3
InChIKeyNEKSRTVMFGIEAZ-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.64
Rot. Bonds2

About N-formylprop-2-enamide;bis(propan-2-one)

N-formylprop-2-enamide;bis(propan-2-one) (PubChem CID 22614021) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-formylprop-2-enamide;bis(propan-2-one).

Molecular Properties

Compound NameN-formylprop-2-enamide;bis(propan-2-one)
PubChem CID22614021
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC NameN-formylprop-2-enamide;bis(propan-2-one)
SMILESC=CC(=O)NC=O.CC(C)=O.CC(C)=O
InChIInChI=1S/C4H5NO2.2C3H6O/c1-2-4(7)5-3-6;2*1-3(2)4/h2-3H,1H2,(H,5,6,7);2*1-2H3
InChIKeyNEKSRTVMFGIEAZ-UHFFFAOYSA-N
XLogP0.64
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-formylprop-2-enamide;N-methylformamide
CID 159760738
N-buta-1,3-dienylprop-2-enamide;bis(propan-2-one)
CID 88842550
N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide
CID 142315357
N-[(Z)-prop-1-enyl]prop-2-enamide
CID 89246615
2-methylprop-2-enoic acid;3-(prop-2-enoylamino)prop-2-enoic acid
CID 88514689
N-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide
CID 178170806
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
sodium N-propan-2-ylprop-2-enamide
CID 19004870
methanol;bis(N-methylprop-2-enamide)
CID 175170531
dimethyl-prop-2-enoyl-[3-(prop-2-enoylamino)prop-2-enoyl]azanium
CID 123142289
4-methoxyhexa-3,5-dien-2-one
CID 71435103
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226

Frequently Asked Questions

What is the IUPAC name of N-formylprop-2-enamide;bis(propan-2-one)?
The IUPAC name of N-formylprop-2-enamide;bis(propan-2-one) (CID 22614021) is N-formylprop-2-enamide;bis(propan-2-one).
What is the SMILES notation for N-formylprop-2-enamide;bis(propan-2-one)?
The canonical SMILES for N-formylprop-2-enamide;bis(propan-2-one) is C=CC(=O)NC=O.CC(C)=O.CC(C)=O.
What is the InChIKey of N-formylprop-2-enamide;bis(propan-2-one)?
The InChIKey is NEKSRTVMFGIEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.2C3H6O/c1-2-4(7)5-3-6;2*1-3(2)4/h2-3H,1H2,(H,5,6,7);2*1-2H3.
What are the key properties of N-formylprop-2-enamide;bis(propan-2-one)?
N-formylprop-2-enamide;bis(propan-2-one) has a molecular weight of 215.25 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-formylprop-2-enamide;bis(propan-2-one) is sourced from PubChem (CID 22614021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).