3-[(cyclopentyloxyamino)methyl]benzonitrile

C13H16N2O — CID 83228440

IUPAC3-[(cyclopentyloxyamino)methyl]benzonitrile
SMILESN#Cc1cccc(CNOC2CCCC2)c1
InChIInChI=1S/C13H16N2O/c14-9-11-4-3-5-12(8-11)10-15-16-13-6-1-2-7-13/h3-5,8,13,15H,1-2,6-7,10H2
InChIKeyIBNVMSNIGSHOOM-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.52
Rot. Bonds4

About 3-[(cyclopentyloxyamino)methyl]benzonitrile

3-[(cyclopentyloxyamino)methyl]benzonitrile (PubChem CID 83228440) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[(cyclopentyloxyamino)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(cyclopentyloxyamino)methyl]benzonitrile
PubChem CID83228440
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-[(cyclopentyloxyamino)methyl]benzonitrile
SMILESN#Cc1cccc(CNOC2CCCC2)c1
InChIInChI=1S/C13H16N2O/c14-9-11-4-3-5-12(8-11)10-15-16-13-6-1-2-7-13/h3-5,8,13,15H,1-2,6-7,10H2
InChIKeyIBNVMSNIGSHOOM-UHFFFAOYSA-N
XLogP2.52
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
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-[(cyclopentyloxyamino)methyl]benzonitrile?
The IUPAC name of 3-[(cyclopentyloxyamino)methyl]benzonitrile (CID 83228440) is 3-[(cyclopentyloxyamino)methyl]benzonitrile.
What is the SMILES notation for 3-[(cyclopentyloxyamino)methyl]benzonitrile?
The canonical SMILES for 3-[(cyclopentyloxyamino)methyl]benzonitrile is N#Cc1cccc(CNOC2CCCC2)c1.
What is the InChIKey of 3-[(cyclopentyloxyamino)methyl]benzonitrile?
The InChIKey is IBNVMSNIGSHOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-9-11-4-3-5-12(8-11)10-15-16-13-6-1-2-7-13/h3-5,8,13,15H,1-2,6-7,10H2.
What are the key properties of 3-[(cyclopentyloxyamino)methyl]benzonitrile?
3-[(cyclopentyloxyamino)methyl]benzonitrile has a molecular weight of 216.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopentyloxyamino)methyl]benzonitrile is sourced from PubChem (CID 83228440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).