1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

C10H16F3N3O2 — CID 55037775

IUPAC1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)C1(/C(N)=N/O)CCCC1
InChIInChI=1S/C10H16F3N3O2/c1-16(6-10(11,12)13)8(17)9(7(14)15-18)4-2-3-5-9/h18H,2-6H2,1H3,(H2,14,15)
InChIKeyMYPMIPRRMYLCNQ-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.31
Rot. Bonds3

About 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (PubChem CID 55037775) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
PubChem CID55037775
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)C1(/C(N)=N/O)CCCC1
InChIInChI=1S/C10H16F3N3O2/c1-16(6-10(11,12)13)8(17)9(7(14)15-18)4-2-3-5-9/h18H,2-6H2,1H3,(H2,14,15)
InChIKeyMYPMIPRRMYLCNQ-UHFFFAOYSA-N
XLogP1.31
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
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-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (CID 55037775) is 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is CN(CC(F)(F)F)C(=O)C1(/C(N)=N/O)CCCC1.
What is the InChIKey of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The InChIKey is MYPMIPRRMYLCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-16(6-10(11,12)13)8(17)9(7(14)15-18)4-2-3-5-9/h18H,2-6H2,1H3,(H2,14,15).
What are the key properties of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide has a molecular weight of 267.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 55037775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).