N'-hydroxy-1-phenylcyclopentane-1-carboximidamide

C12H16N2O — CID 87165177

IUPACN'-hydroxy-1-phenylcyclopentane-1-carboximidamide
SMILESN/C(=N\O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C12H16N2O/c13-11(14-15)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7,15H,4-5,8-9H2,(H2,13,14)
InChIKeyXDJNPBNBEKFUKH-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.24
Rot. Bonds2

About N'-hydroxy-1-phenylcyclopentane-1-carboximidamide

N'-hydroxy-1-phenylcyclopentane-1-carboximidamide (PubChem CID 87165177) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N'-hydroxy-1-phenylcyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-phenylcyclopentane-1-carboximidamide
PubChem CID87165177
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN'-hydroxy-1-phenylcyclopentane-1-carboximidamide
SMILESN/C(=N\O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C12H16N2O/c13-11(14-15)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7,15H,4-5,8-9H2,(H2,13,14)
InChIKeyXDJNPBNBEKFUKH-UHFFFAOYSA-N
XLogP2.24
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N'-hydroxy-1-phenylcyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-phenylcyclopentane-1-carboximidamide (CID 87165177) is N'-hydroxy-1-phenylcyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-phenylcyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-phenylcyclopentane-1-carboximidamide is N/C(=N\O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N'-hydroxy-1-phenylcyclopentane-1-carboximidamide?
The InChIKey is XDJNPBNBEKFUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11(14-15)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7,15H,4-5,8-9H2,(H2,13,14).
What are the key properties of N'-hydroxy-1-phenylcyclopentane-1-carboximidamide?
N'-hydroxy-1-phenylcyclopentane-1-carboximidamide has a molecular weight of 204.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-phenylcyclopentane-1-carboximidamide is sourced from PubChem (CID 87165177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).