4-methylidene-1-(oxetan-3-yl)azepane

C10H17NO — CID 146561237

IUPAC4-methylidene-1-(oxetan-3-yl)azepane
SMILESC=C1CCCN(C2COC2)CC1
InChIInChI=1S/C10H17NO/c1-9-3-2-5-11(6-4-9)10-7-12-8-10/h10H,1-8H2
InChIKeyRGJYVHBUBCKNAV-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.43
Rot. Bonds1

About 4-methylidene-1-(oxetan-3-yl)azepane

4-methylidene-1-(oxetan-3-yl)azepane (PubChem CID 146561237) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-methylidene-1-(oxetan-3-yl)azepane.

Molecular Properties

Compound Name4-methylidene-1-(oxetan-3-yl)azepane
PubChem CID146561237
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-methylidene-1-(oxetan-3-yl)azepane
SMILESC=C1CCCN(C2COC2)CC1
InChIInChI=1S/C10H17NO/c1-9-3-2-5-11(6-4-9)10-7-12-8-10/h10H,1-8H2
InChIKeyRGJYVHBUBCKNAV-UHFFFAOYSA-N
XLogP1.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.43
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 4-methylidene-1-(oxetan-3-yl)azepane?
The IUPAC name of 4-methylidene-1-(oxetan-3-yl)azepane (CID 146561237) is 4-methylidene-1-(oxetan-3-yl)azepane.
What is the SMILES notation for 4-methylidene-1-(oxetan-3-yl)azepane?
The canonical SMILES for 4-methylidene-1-(oxetan-3-yl)azepane is C=C1CCCN(C2COC2)CC1.
What is the InChIKey of 4-methylidene-1-(oxetan-3-yl)azepane?
The InChIKey is RGJYVHBUBCKNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9-3-2-5-11(6-4-9)10-7-12-8-10/h10H,1-8H2.
What are the key properties of 4-methylidene-1-(oxetan-3-yl)azepane?
4-methylidene-1-(oxetan-3-yl)azepane has a molecular weight of 167.25 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-(oxetan-3-yl)azepane is sourced from PubChem (CID 146561237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).