3-nitrosoheptane

C7H15NO — CID 54273432

IUPAC3-nitrosoheptane
SMILESCCCCC(CC)N=O
InChIInChI=1S/C7H15NO/c1-3-5-6-7(4-2)8-9/h7H,3-6H2,1-2H3
InChIKeyRLTPOWKFXAESOR-UHFFFAOYSA-N
MW129.20 g/mol
LogP2.72
Rot. Bonds5

About 3-nitrosoheptane

3-nitrosoheptane (PubChem CID 54273432) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-nitrosoheptane.

Molecular Properties

Compound Name3-nitrosoheptane
PubChem CID54273432
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-nitrosoheptane
SMILESCCCCC(CC)N=O
InChIInChI=1S/C7H15NO/c1-3-5-6-7(4-2)8-9/h7H,3-6H2,1-2H3
InChIKeyRLTPOWKFXAESOR-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 3-nitrosoheptane?
The IUPAC name of 3-nitrosoheptane (CID 54273432) is 3-nitrosoheptane.
What is the SMILES notation for 3-nitrosoheptane?
The canonical SMILES for 3-nitrosoheptane is CCCCC(CC)N=O.
What is the InChIKey of 3-nitrosoheptane?
The InChIKey is RLTPOWKFXAESOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-5-6-7(4-2)8-9/h7H,3-6H2,1-2H3.
What are the key properties of 3-nitrosoheptane?
3-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 3-nitrosoheptane is sourced from PubChem (CID 54273432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).