N-acetylacetamide;1-methylpyrrolidine

C9H18N2O2 — CID 90017429

IUPACN-acetylacetamide;1-methylpyrrolidine
SMILESCC(=O)NC(C)=O.CN1CCCC1
InChIInChI=1S/C5H11N.C4H7NO2/c1-6-4-2-3-5-6;1-3(6)5-4(2)7/h2-5H2,1H3;1-2H3,(H,5,6,7)
InChIKeyABAYNHFLNBVJOB-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.38
Rot. Bonds

About N-acetylacetamide;1-methylpyrrolidine

N-acetylacetamide;1-methylpyrrolidine (PubChem CID 90017429) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-acetylacetamide;1-methylpyrrolidine.

Molecular Properties

Compound NameN-acetylacetamide;1-methylpyrrolidine
PubChem CID90017429
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-acetylacetamide;1-methylpyrrolidine
SMILESCC(=O)NC(C)=O.CN1CCCC1
InChIInChI=1S/C5H11N.C4H7NO2/c1-6-4-2-3-5-6;1-3(6)5-4(2)7/h2-5H2,1H3;1-2H3,(H,5,6,7)
InChIKeyABAYNHFLNBVJOB-UHFFFAOYSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl acetate;1-methylazepane
CID 54536864
azanium;1-methylpyrrolidine;acetate
CID 69436437
CID 68772535
CID 68772535
CID 172772830
CID 172772830
1-methylpiperidine
CID 90254979
1-methylpyrrolidine;phosphane
CID 159655297
1-methylpiperidine
CID 160757527
tris(N-acetylacetamide);gallane
CID 175572719
ethane;bis(1-methylpyrrolidine)
CID 153385238
acetylene;N-methylpropanamide;1-methylpyrrolidine
CID 142970121
2-acetamido-3-methylbutanoic acid;ethane;1-methylpyrrolidine
CID 162750966
ethane;methanol;1-methylazepane
CID 171650925

Frequently Asked Questions

What is the IUPAC name of N-acetylacetamide;1-methylpyrrolidine?
The IUPAC name of N-acetylacetamide;1-methylpyrrolidine (CID 90017429) is N-acetylacetamide;1-methylpyrrolidine.
What is the SMILES notation for N-acetylacetamide;1-methylpyrrolidine?
The canonical SMILES for N-acetylacetamide;1-methylpyrrolidine is CC(=O)NC(C)=O.CN1CCCC1.
What is the InChIKey of N-acetylacetamide;1-methylpyrrolidine?
The InChIKey is ABAYNHFLNBVJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C4H7NO2/c1-6-4-2-3-5-6;1-3(6)5-4(2)7/h2-5H2,1H3;1-2H3,(H,5,6,7).
What are the key properties of N-acetylacetamide;1-methylpyrrolidine?
N-acetylacetamide;1-methylpyrrolidine has a molecular weight of 186.25 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetylacetamide;1-methylpyrrolidine is sourced from PubChem (CID 90017429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).