azane;1-nitrosopentane

C5H14N2O — CID 174758116

IUPACazane;1-nitrosopentane
SMILESCCCCCN=O.N
InChIInChI=1S/C5H11NO.H3N/c1-2-3-4-5-6-7;/h2-5H2,1H3;1H3
InChIKeyHFNDRUDBEXQCQF-UHFFFAOYSA-N
MW118.18 g/mol
LogP2.11
Rot. Bonds4

About azane;1-nitrosopentane

azane;1-nitrosopentane (PubChem CID 174758116) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is azane;1-nitrosopentane.

Molecular Properties

Compound Nameazane;1-nitrosopentane
PubChem CID174758116
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Nameazane;1-nitrosopentane
SMILESCCCCCN=O.N
InChIInChI=1S/C5H11NO.H3N/c1-2-3-4-5-6-7;/h2-5H2,1H3;1H3
InChIKeyHFNDRUDBEXQCQF-UHFFFAOYSA-N
XLogP2.11
TPSA64.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;1-nitrosopentane?
The IUPAC name of azane;1-nitrosopentane (CID 174758116) is azane;1-nitrosopentane.
What is the SMILES notation for azane;1-nitrosopentane?
The canonical SMILES for azane;1-nitrosopentane is CCCCCN=O.N.
What is the InChIKey of azane;1-nitrosopentane?
The InChIKey is HFNDRUDBEXQCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.H3N/c1-2-3-4-5-6-7;/h2-5H2,1H3;1H3.
What are the key properties of azane;1-nitrosopentane?
azane;1-nitrosopentane has a molecular weight of 118.18 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-nitrosopentane is sourced from PubChem (CID 174758116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).