2-[1-(isocyanomethyl)cyclopentyl]phenol

C13H15NO — CID 105453650

IUPAC2-[1-(isocyanomethyl)cyclopentyl]phenol
SMILES[C-]#[N+]CC1(c2ccccc2O)CCCC1
InChIInChI=1S/C13H15NO/c1-14-10-13(8-4-5-9-13)11-6-2-3-7-12(11)15/h2-3,6-7,15H,4-5,8-10H2
InChIKeyWTDUZMDZUBPUKH-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.12
Rot. Bonds2

About 2-[1-(isocyanomethyl)cyclopentyl]phenol

2-[1-(isocyanomethyl)cyclopentyl]phenol (PubChem CID 105453650) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[1-(isocyanomethyl)cyclopentyl]phenol.

Molecular Properties

Compound Name2-[1-(isocyanomethyl)cyclopentyl]phenol
PubChem CID105453650
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-[1-(isocyanomethyl)cyclopentyl]phenol
SMILES[C-]#[N+]CC1(c2ccccc2O)CCCC1
InChIInChI=1S/C13H15NO/c1-14-10-13(8-4-5-9-13)11-6-2-3-7-12(11)15/h2-3,6-7,15H,4-5,8-10H2
InChIKeyWTDUZMDZUBPUKH-UHFFFAOYSA-N
XLogP3.12
TPSA24.59 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(isocyanomethyl)cyclopentyl]phenol?
The IUPAC name of 2-[1-(isocyanomethyl)cyclopentyl]phenol (CID 105453650) is 2-[1-(isocyanomethyl)cyclopentyl]phenol.
What is the SMILES notation for 2-[1-(isocyanomethyl)cyclopentyl]phenol?
The canonical SMILES for 2-[1-(isocyanomethyl)cyclopentyl]phenol is [C-]#[N+]CC1(c2ccccc2O)CCCC1.
What is the InChIKey of 2-[1-(isocyanomethyl)cyclopentyl]phenol?
The InChIKey is WTDUZMDZUBPUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-14-10-13(8-4-5-9-13)11-6-2-3-7-12(11)15/h2-3,6-7,15H,4-5,8-10H2.
What are the key properties of 2-[1-(isocyanomethyl)cyclopentyl]phenol?
2-[1-(isocyanomethyl)cyclopentyl]phenol has a molecular weight of 201.27 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(isocyanomethyl)cyclopentyl]phenol is sourced from PubChem (CID 105453650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).