4-nitrosoheptane

C7H15NO — CID 54317012

IUPAC4-nitrosoheptane
SMILESCCCC(CCC)N=O
InChIInChI=1S/C7H15NO/c1-3-5-7(8-9)6-4-2/h7H,3-6H2,1-2H3
InChIKeySOXSAONPMMYXTG-UHFFFAOYSA-N
MW129.20 g/mol
LogP2.72
Rot. Bonds5

About 4-nitrosoheptane

4-nitrosoheptane (PubChem CID 54317012) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-nitrosoheptane.

Molecular Properties

Compound Name4-nitrosoheptane
PubChem CID54317012
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-nitrosoheptane
SMILESCCCC(CCC)N=O
InChIInChI=1S/C7H15NO/c1-3-5-7(8-9)6-4-2/h7H,3-6H2,1-2H3
InChIKeySOXSAONPMMYXTG-UHFFFAOYSA-N
XLogP2.72
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-nitrosoheptane?
The IUPAC name of 4-nitrosoheptane (CID 54317012) is 4-nitrosoheptane.
What is the SMILES notation for 4-nitrosoheptane?
The canonical SMILES for 4-nitrosoheptane is CCCC(CCC)N=O.
What is the InChIKey of 4-nitrosoheptane?
The InChIKey is SOXSAONPMMYXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-5-7(8-9)6-4-2/h7H,3-6H2,1-2H3.
What are the key properties of 4-nitrosoheptane?
4-nitrosoheptane has a molecular weight of 129.20 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitrosoheptane is sourced from PubChem (CID 54317012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).