N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]acetamide

C9H14N4O2 — CID 170631611

IUPACN-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]acetamide
SMILESCC(=O)N[C@H](C#N)CN1CCN(C)C1=O
InChIInChI=1S/C9H14N4O2/c1-7(14)11-8(5-10)6-13-4-3-12(2)9(13)15/h8H,3-4,6H2,1-2H3,(H,11,14)/t8-/m1/s1
InChIKeyFMPOIMNJOTVBGB-MRVPVSSYSA-N
MW210.24 g/mol
LogP-0.62
Rot. Bonds3

About N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]acetamide

N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]acetamide (PubChem CID 170631611) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]acetamide
PubChem CID170631611
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]acetamide
SMILESCC(=O)N[C@H](C#N)CN1CCN(C)C1=O
InChIInChI=1S/C9H14N4O2/c1-7(14)11-8(5-10)6-13-4-3-12(2)9(13)15/h8H,3-4,6H2,1-2H3,(H,11,14)/t8-/m1/s1
InChIKeyFMPOIMNJOTVBGB-MRVPVSSYSA-N
XLogP-0.62
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-propan-2-ylurea
CID 16040987
(4-Methyl-2-oxoimidazolidin-1-yl)acetamide
CID 19350733
2-[3,4-Dimethyl-4-(methylamino)-2-oxoimidazolidin-1-yl]acetamide
CID 19350742
2,2,4-Trimethyl-5-oxo-1-imidazolidineacetamide
CID 20155476
1-(2-Aminopropanoyl)-2,2-dimethyl-4-imidazolidinone
CID 20163710
1-(2-Aminoacetyl)-2,2,5-trimethyl-4-imidazolidinone
CID 20163748
1-[2-(2-Oxoimidazolidin-1-yl)propanoyl]aziridine-2-carbonitrile
CID 57254741
3-acetamido-N-methylpyrrolidine-1-carboxamide
CID 57637058
(3S)-N-methyl-3-(propanoylamino)pyrrolidine-1-carboxamide
CID 57698548
(3S)-3-acetamido-N-methylpyrrolidine-1-carboxamide
CID 57698597
(3S)-3-[[2-(dimethylamino)acetyl]amino]-N-methylpyrrolidine-1-carboxamide
CID 57698610
1-(1-Acetylpyrrolidin-3-yl)-1,3-dimethylurea
CID 58585070

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]acetamide?
The IUPAC name of N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]acetamide (CID 170631611) is N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]acetamide is CC(=O)N[C@H](C#N)CN1CCN(C)C1=O.
What is the InChIKey of N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]acetamide?
The InChIKey is FMPOIMNJOTVBGB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-7(14)11-8(5-10)6-13-4-3-12(2)9(13)15/h8H,3-4,6H2,1-2H3,(H,11,14)/t8-/m1/s1.
What are the key properties of N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]acetamide?
N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]acetamide has a molecular weight of 210.24 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 170631611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).