N-but-2-ynyl-3-(cyclopropanecarbonyl)imidazolidine-1-carboxamide

C12H17N3O2 — CID 128853844

IUPACN-but-2-ynyl-3-(cyclopropanecarbonyl)imidazolidine-1-carboxamide
SMILESCC#CCNC(=O)N1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C12H17N3O2/c1-2-3-6-13-12(17)15-8-7-14(9-15)11(16)10-4-5-10/h10H,4-9H2,1H3,(H,13,17)
InChIKeyYMAOIPJYTGMDGF-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.23
Rot. Bonds2

About N-but-2-ynyl-3-(cyclopropanecarbonyl)imidazolidine-1-carboxamide

N-but-2-ynyl-3-(cyclopropanecarbonyl)imidazolidine-1-carboxamide (PubChem CID 128853844) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-but-2-ynyl-3-(cyclopropanecarbonyl)imidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-but-2-ynyl-3-(cyclopropanecarbonyl)imidazolidine-1-carboxamide
PubChem CID128853844
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-but-2-ynyl-3-(cyclopropanecarbonyl)imidazolidine-1-carboxamide
SMILESCC#CCNC(=O)N1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C12H17N3O2/c1-2-3-6-13-12(17)15-8-7-14(9-15)11(16)10-4-5-10/h10H,4-9H2,1H3,(H,13,17)
InChIKeyYMAOIPJYTGMDGF-UHFFFAOYSA-N
XLogP0.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-2-ynyl-4-methylpiperazine-1-carboxamide
CID 143657710
4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 23794806
but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone
CID 170583194
N-but-2-ynyl-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 167928795
4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811347
4-(cyclopentanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 110364786
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]butane-1,3-dione
CID 54876750
methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 60700298
3-methyl-N-prop-2-ynylpiperidine-1-carboxamide
CID 112722495
1-[4-(but-2-ynylamino)piperidin-1-yl]propan-1-one
CID 115866481

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-3-(cyclopropanecarbonyl)imidazolidine-1-carboxamide?
The IUPAC name of N-but-2-ynyl-3-(cyclopropanecarbonyl)imidazolidine-1-carboxamide (CID 128853844) is N-but-2-ynyl-3-(cyclopropanecarbonyl)imidazolidine-1-carboxamide.
What is the SMILES notation for N-but-2-ynyl-3-(cyclopropanecarbonyl)imidazolidine-1-carboxamide?
The canonical SMILES for N-but-2-ynyl-3-(cyclopropanecarbonyl)imidazolidine-1-carboxamide is CC#CCNC(=O)N1CCN(C(=O)C2CC2)C1.
What is the InChIKey of N-but-2-ynyl-3-(cyclopropanecarbonyl)imidazolidine-1-carboxamide?
The InChIKey is YMAOIPJYTGMDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-3-6-13-12(17)15-8-7-14(9-15)11(16)10-4-5-10/h10H,4-9H2,1H3,(H,13,17).
What are the key properties of N-but-2-ynyl-3-(cyclopropanecarbonyl)imidazolidine-1-carboxamide?
N-but-2-ynyl-3-(cyclopropanecarbonyl)imidazolidine-1-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-3-(cyclopropanecarbonyl)imidazolidine-1-carboxamide is sourced from PubChem (CID 128853844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).