1-but-3-enyl-2-nitrosocyclohexane

C10H17NO — CID 54572208

IUPAC1-but-3-enyl-2-nitrosocyclohexane
SMILESC=CCCC1CCCCC1N=O
InChIInChI=1S/C10H17NO/c1-2-3-6-9-7-4-5-8-10(9)11-12/h2,9-10H,1,3-8H2
InChIKeyZYCMOUPJWUSIQT-UHFFFAOYSA-N
MW167.25 g/mol
LogP3.28
Rot. Bonds4

About 1-but-3-enyl-2-nitrosocyclohexane

1-but-3-enyl-2-nitrosocyclohexane (PubChem CID 54572208) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-but-3-enyl-2-nitrosocyclohexane.

Molecular Properties

Compound Name1-but-3-enyl-2-nitrosocyclohexane
PubChem CID54572208
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-but-3-enyl-2-nitrosocyclohexane
SMILESC=CCCC1CCCCC1N=O
InChIInChI=1S/C10H17NO/c1-2-3-6-9-7-4-5-8-10(9)11-12/h2,9-10H,1,3-8H2
InChIKeyZYCMOUPJWUSIQT-UHFFFAOYSA-N
XLogP3.28
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-2-nitrosocyclohexane?
The IUPAC name of 1-but-3-enyl-2-nitrosocyclohexane (CID 54572208) is 1-but-3-enyl-2-nitrosocyclohexane.
What is the SMILES notation for 1-but-3-enyl-2-nitrosocyclohexane?
The canonical SMILES for 1-but-3-enyl-2-nitrosocyclohexane is C=CCCC1CCCCC1N=O.
What is the InChIKey of 1-but-3-enyl-2-nitrosocyclohexane?
The InChIKey is ZYCMOUPJWUSIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-6-9-7-4-5-8-10(9)11-12/h2,9-10H,1,3-8H2.
What are the key properties of 1-but-3-enyl-2-nitrosocyclohexane?
1-but-3-enyl-2-nitrosocyclohexane has a molecular weight of 167.25 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-2-nitrosocyclohexane is sourced from PubChem (CID 54572208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).