N-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)acetamide

C7H11N3O2 — CID 130769760

IUPACN-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)acetamide
SMILESCC(=O)/N=C1\N(C)CC(=O)N1C
InChIInChI=1S/C7H11N3O2/c1-5(11)8-7-9(2)4-6(12)10(7)3/h4H2,1-3H3/b8-7+
InChIKeyCGBLKVPCTVMSFC-BQYQJAHWSA-N
MW169.18 g/mol
LogP-0.71
Rot. Bonds

About N-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)acetamide

N-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)acetamide (PubChem CID 130769760) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)acetamide
PubChem CID130769760
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)acetamide
SMILESCC(=O)/N=C1\N(C)CC(=O)N1C
InChIInChI=1S/C7H11N3O2/c1-5(11)8-7-9(2)4-6(12)10(7)3/h4H2,1-3H3/b8-7+
InChIKeyCGBLKVPCTVMSFC-BQYQJAHWSA-N
XLogP-0.71
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetyl-1-methyl-4-oxoimidazolidin-2-ylidene)acetamide
CID 91716816
1-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)-3-(2,6-dimethylphenyl)urea
CID 54230876
1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione
CID 139515723
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
CID 71358039
2,2,2-trifluoro-N-[1-methyl-4-oxo-3-(2,2,2-trifluoroacetyl)imidazolidin-2-ylidene]acetamide
CID 91737313
(2Z)-3-amino-2-hydrazinylidene-1-methylimidazolidin-4-one
CID 91290617
(2E)-3-amino-2-hydrazinylidene-1-methylimidazolidin-4-one
CID 59934338
1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane
CID 142135855
1,3-dimethylimidazolidine-2,4-dione;ethane;1-ethyl-3-methylimidazolidine-2,4-dione
CID 142135438
1,3-dimethylimidazolidine-2,4-dione;1,3-dimethyl-4-methylideneimidazolidin-2-one
CID 159940640
methyl 2-methyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate
CID 77074476
3-methyl-1-(3-methylbutanoyl)imidazolidin-4-one
CID 131020239

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)acetamide?
The IUPAC name of N-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)acetamide (CID 130769760) is N-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)acetamide.
What is the SMILES notation for N-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)acetamide?
The canonical SMILES for N-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)acetamide is CC(=O)/N=C1\N(C)CC(=O)N1C.
What is the InChIKey of N-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)acetamide?
The InChIKey is CGBLKVPCTVMSFC-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5(11)8-7-9(2)4-6(12)10(7)3/h4H2,1-3H3/b8-7+.
What are the key properties of N-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)acetamide?
N-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)acetamide has a molecular weight of 169.18 g/mol, XLogP of -0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)acetamide is sourced from PubChem (CID 130769760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).