1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide

C14H19N3O2 — CID 80590919

IUPAC1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2(/C(N)=N/O)CC2)c(C)c1
InChIInChI=1S/C14H19N3O2/c1-8-6-9(2)11(10(3)7-8)16-13(18)14(4-5-14)12(15)17-19/h6-7,19H,4-5H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyINKLDSSZXYLONC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.08
Rot. Bonds3

About 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide

1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide (PubChem CID 80590919) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
PubChem CID80590919
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2(/C(N)=N/O)CC2)c(C)c1
InChIInChI=1S/C14H19N3O2/c1-8-6-9(2)11(10(3)7-8)16-13(18)14(4-5-14)12(15)17-19/h6-7,19H,4-5H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyINKLDSSZXYLONC-UHFFFAOYSA-N
XLogP2.08
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide (CID 80590919) is 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide is Cc1cc(C)c(NC(=O)C2(/C(N)=N/O)CC2)c(C)c1.
What is the InChIKey of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide?
The InChIKey is INKLDSSZXYLONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8-6-9(2)11(10(3)7-8)16-13(18)14(4-5-14)12(15)17-19/h6-7,19H,4-5H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide?
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80590919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).