1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide

C12H20N2O2 — CID 108970779

IUPAC1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
SMILESC=CCNC(=O)C1(C(=O)NCC(C)C)CC1
InChIInChI=1S/C12H20N2O2/c1-4-7-13-10(15)12(5-6-12)11(16)14-8-9(2)3/h4,9H,1,5-8H2,2-3H3,(H,13,15)(H,14,16)
InChIKeyLLLPZFYEFYEXEC-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.84
Rot. Bonds6

About 1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide

1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide (PubChem CID 108970779) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
PubChem CID108970779
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
SMILESC=CCNC(=O)C1(C(=O)NCC(C)C)CC1
InChIInChI=1S/C12H20N2O2/c1-4-7-13-10(15)12(5-6-12)11(16)14-8-9(2)3/h4,9H,1,5-8H2,2-3H3,(H,13,15)(H,14,16)
InChIKeyLLLPZFYEFYEXEC-UHFFFAOYSA-N
XLogP0.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095026
1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971181
1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970946
hydron;1-(2-methylpropyl)-3-prop-2-enylurea
CID 174433469
1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971312
1-N'-(4-ethylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970880
1-N'-(4-ethylphenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971270
1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971243
4-amino-N-prop-2-enyloxane-4-carboxamide
CID 115293592
1-N'-(2-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970867
1-N'-[(4-fluorophenyl)methyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970806
1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970891

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide (CID 108970779) is 1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide is C=CCNC(=O)C1(C(=O)NCC(C)C)CC1.
What is the InChIKey of 1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide?
The InChIKey is LLLPZFYEFYEXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-7-13-10(15)12(5-6-12)11(16)14-8-9(2)3/h4,9H,1,5-8H2,2-3H3,(H,13,15)(H,14,16).
What are the key properties of 1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide?
1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108970779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).