3-methyl-4-(3-propan-2-yliminopropyl)-5-prop-1-en-2-yl-1H-imidazol-2-one

C13H21N3O — CID 146517029

IUPAC3-methyl-4-(3-propan-2-yliminopropyl)-5-prop-1-en-2-yl-1H-imidazol-2-one
SMILESC=C(C)c1[nH]c(=O)n(C)c1CC/C=N/C(C)C
InChIInChI=1S/C13H21N3O/c1-9(2)12-11(16(5)13(17)15-12)7-6-8-14-10(3)4/h8,10H,1,6-7H2,2-5H3,(H,15,17)/b14-8+
InChIKeyBCQQTFBQFILFJC-RIYZIHGNSA-N
MW235.33 g/mol
LogP2.16
Rot. Bonds5

About 3-methyl-4-(3-propan-2-yliminopropyl)-5-prop-1-en-2-yl-1H-imidazol-2-one

3-methyl-4-(3-propan-2-yliminopropyl)-5-prop-1-en-2-yl-1H-imidazol-2-one (PubChem CID 146517029) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-methyl-4-(3-propan-2-yliminopropyl)-5-prop-1-en-2-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-methyl-4-(3-propan-2-yliminopropyl)-5-prop-1-en-2-yl-1H-imidazol-2-one
PubChem CID146517029
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-methyl-4-(3-propan-2-yliminopropyl)-5-prop-1-en-2-yl-1H-imidazol-2-one
SMILESC=C(C)c1[nH]c(=O)n(C)c1CC/C=N/C(C)C
InChIInChI=1S/C13H21N3O/c1-9(2)12-11(16(5)13(17)15-12)7-6-8-14-10(3)4/h8,10H,1,6-7H2,2-5H3,(H,15,17)/b14-8+
InChIKeyBCQQTFBQFILFJC-RIYZIHGNSA-N
XLogP2.16
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroxyethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid
CID 117225077
3-methyl-2-oxo-4-propan-2-yl-1H-imidazole-5-carboxylic acid
CID 117225039
methyl 3-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-1H-imidazole-5-carboxylate
CID 117225270
5-hydroxy-3-methyl-4-(sulfanylmethyl)-1H-imidazol-2-one
CID 91345397
4,5-bis(ethenyl)-3-prop-1-en-2-yl-1H-imidazol-2-one
CID 143009973
4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide
CID 174331722
N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)formamide
CID 19023641
4-methyl-5-prop-1-en-2-yl-1,3-dihydroimidazol-2-one
CID 175626074
1-methyl-2,4-dioxo-6-propan-2-ylpyrimidine-5-carboxylic acid
CID 125451512
3-methyl-8-(3-methylbutylsulfanyl)-7-prop-2-enylpurine-2,6-dione
CID 747121
1-prop-1-en-2-ylpyrimidine-2,4-dione
CID 144698021
1-deuterio-2-(1,1-dideuterio-2-methyl-4-oxopent-1-en-3-yl)-4-methyl-1,2,4-triazolidine-3,5-dione
CID 177463103

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-propan-2-yliminopropyl)-5-prop-1-en-2-yl-1H-imidazol-2-one?
The IUPAC name of 3-methyl-4-(3-propan-2-yliminopropyl)-5-prop-1-en-2-yl-1H-imidazol-2-one (CID 146517029) is 3-methyl-4-(3-propan-2-yliminopropyl)-5-prop-1-en-2-yl-1H-imidazol-2-one.
What is the SMILES notation for 3-methyl-4-(3-propan-2-yliminopropyl)-5-prop-1-en-2-yl-1H-imidazol-2-one?
The canonical SMILES for 3-methyl-4-(3-propan-2-yliminopropyl)-5-prop-1-en-2-yl-1H-imidazol-2-one is C=C(C)c1[nH]c(=O)n(C)c1CC/C=N/C(C)C.
What is the InChIKey of 3-methyl-4-(3-propan-2-yliminopropyl)-5-prop-1-en-2-yl-1H-imidazol-2-one?
The InChIKey is BCQQTFBQFILFJC-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)12-11(16(5)13(17)15-12)7-6-8-14-10(3)4/h8,10H,1,6-7H2,2-5H3,(H,15,17)/b14-8+.
What are the key properties of 3-methyl-4-(3-propan-2-yliminopropyl)-5-prop-1-en-2-yl-1H-imidazol-2-one?
3-methyl-4-(3-propan-2-yliminopropyl)-5-prop-1-en-2-yl-1H-imidazol-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-propan-2-yliminopropyl)-5-prop-1-en-2-yl-1H-imidazol-2-one is sourced from PubChem (CID 146517029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).