4-(3-nitrosopropoxy)butan-1-ol

C7H15NO3 — CID 175617365

IUPAC4-(3-nitrosopropoxy)butan-1-ol
SMILESO=NCCCOCCCCO
InChIInChI=1S/C7H15NO3/c9-5-1-2-6-11-7-3-4-8-10/h9H,1-7H2
InChIKeyUMTJDVKGHFIKQM-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.93
Rot. Bonds8

About 4-(3-nitrosopropoxy)butan-1-ol

4-(3-nitrosopropoxy)butan-1-ol (PubChem CID 175617365) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-(3-nitrosopropoxy)butan-1-ol.

Molecular Properties

Compound Name4-(3-nitrosopropoxy)butan-1-ol
PubChem CID175617365
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name4-(3-nitrosopropoxy)butan-1-ol
SMILESO=NCCCOCCCCO
InChIInChI=1S/C7H15NO3/c9-5-1-2-6-11-7-3-4-8-10/h9H,1-7H2
InChIKeyUMTJDVKGHFIKQM-UHFFFAOYSA-N
XLogP0.93
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-nitrosopropoxy)butan-1-ol?
The IUPAC name of 4-(3-nitrosopropoxy)butan-1-ol (CID 175617365) is 4-(3-nitrosopropoxy)butan-1-ol.
What is the SMILES notation for 4-(3-nitrosopropoxy)butan-1-ol?
The canonical SMILES for 4-(3-nitrosopropoxy)butan-1-ol is O=NCCCOCCCCO.
What is the InChIKey of 4-(3-nitrosopropoxy)butan-1-ol?
The InChIKey is UMTJDVKGHFIKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c9-5-1-2-6-11-7-3-4-8-10/h9H,1-7H2.
What are the key properties of 4-(3-nitrosopropoxy)butan-1-ol?
4-(3-nitrosopropoxy)butan-1-ol has a molecular weight of 161.20 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitrosopropoxy)butan-1-ol is sourced from PubChem (CID 175617365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).