3-(hydroxyamino)-1-phenylcyclobutane-1-carbonitrile

C11H12N2O — CID 82684802

IUPAC3-(hydroxyamino)-1-phenylcyclobutane-1-carbonitrile
SMILESN#CC1(c2ccccc2)CC(NO)C1
InChIInChI=1S/C11H12N2O/c12-8-11(6-10(7-11)13-14)9-4-2-1-3-5-9/h1-5,10,13-14H,6-7H2
InChIKeyIPGAWLXJZRBVAJ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.59
Rot. Bonds2

About 3-(hydroxyamino)-1-phenylcyclobutane-1-carbonitrile

3-(hydroxyamino)-1-phenylcyclobutane-1-carbonitrile (PubChem CID 82684802) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(hydroxyamino)-1-phenylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-(hydroxyamino)-1-phenylcyclobutane-1-carbonitrile
PubChem CID82684802
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-(hydroxyamino)-1-phenylcyclobutane-1-carbonitrile
SMILESN#CC1(c2ccccc2)CC(NO)C1
InChIInChI=1S/C11H12N2O/c12-8-11(6-10(7-11)13-14)9-4-2-1-3-5-9/h1-5,10,13-14H,6-7H2
InChIKeyIPGAWLXJZRBVAJ-UHFFFAOYSA-N
XLogP1.59
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxyamino)-1-phenylcyclobutane-1-carbonitrile?
The IUPAC name of 3-(hydroxyamino)-1-phenylcyclobutane-1-carbonitrile (CID 82684802) is 3-(hydroxyamino)-1-phenylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-(hydroxyamino)-1-phenylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-(hydroxyamino)-1-phenylcyclobutane-1-carbonitrile is N#CC1(c2ccccc2)CC(NO)C1.
What is the InChIKey of 3-(hydroxyamino)-1-phenylcyclobutane-1-carbonitrile?
The InChIKey is IPGAWLXJZRBVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-8-11(6-10(7-11)13-14)9-4-2-1-3-5-9/h1-5,10,13-14H,6-7H2.
What are the key properties of 3-(hydroxyamino)-1-phenylcyclobutane-1-carbonitrile?
3-(hydroxyamino)-1-phenylcyclobutane-1-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxyamino)-1-phenylcyclobutane-1-carbonitrile is sourced from PubChem (CID 82684802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).