3-(methoxyamino)cyclopentane-1-carbonitrile

C7H12N2O — CID 126997428

IUPAC3-(methoxyamino)cyclopentane-1-carbonitrile
SMILESCONC1CCC(C#N)C1
InChIInChI=1S/C7H12N2O/c1-10-9-7-3-2-6(4-7)5-8/h6-7,9H,2-4H2,1H3
InChIKeyTXLARJBCYYUXPW-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.83
Rot. Bonds2

About 3-(methoxyamino)cyclopentane-1-carbonitrile

3-(methoxyamino)cyclopentane-1-carbonitrile (PubChem CID 126997428) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-(methoxyamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(methoxyamino)cyclopentane-1-carbonitrile
PubChem CID126997428
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-(methoxyamino)cyclopentane-1-carbonitrile
SMILESCONC1CCC(C#N)C1
InChIInChI=1S/C7H12N2O/c1-10-9-7-3-2-6(4-7)5-8/h6-7,9H,2-4H2,1H3
InChIKeyTXLARJBCYYUXPW-UHFFFAOYSA-N
XLogP0.83
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.83
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-(methoxyamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(methoxyamino)cyclopentane-1-carbonitrile (CID 126997428) is 3-(methoxyamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(methoxyamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(methoxyamino)cyclopentane-1-carbonitrile is CONC1CCC(C#N)C1.
What is the InChIKey of 3-(methoxyamino)cyclopentane-1-carbonitrile?
The InChIKey is TXLARJBCYYUXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-10-9-7-3-2-6(4-7)5-8/h6-7,9H,2-4H2,1H3.
What are the key properties of 3-(methoxyamino)cyclopentane-1-carbonitrile?
3-(methoxyamino)cyclopentane-1-carbonitrile has a molecular weight of 140.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxyamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 126997428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).