2-(oxolan-2-yl)azepane

C10H19NO — CID 4204029

IUPAC2-(oxolan-2-yl)azepane
SMILESC1CCNC(C2CCCO2)CC1
InChIInChI=1S/C10H19NO/c1-2-5-9(11-7-3-1)10-6-4-8-12-10/h9-11H,1-8H2
InChIKeyDCIMNTUWZQNTHD-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds1

About 2-(oxolan-2-yl)azepane

2-(oxolan-2-yl)azepane (PubChem CID 4204029) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(oxolan-2-yl)azepane.

Molecular Properties

Compound Name2-(oxolan-2-yl)azepane
PubChem CID4204029
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(oxolan-2-yl)azepane
SMILESC1CCNC(C2CCCO2)CC1
InChIInChI=1S/C10H19NO/c1-2-5-9(11-7-3-1)10-6-4-8-12-10/h9-11H,1-8H2
InChIKeyDCIMNTUWZQNTHD-UHFFFAOYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)azepane?
The IUPAC name of 2-(oxolan-2-yl)azepane (CID 4204029) is 2-(oxolan-2-yl)azepane.
What is the SMILES notation for 2-(oxolan-2-yl)azepane?
The canonical SMILES for 2-(oxolan-2-yl)azepane is C1CCNC(C2CCCO2)CC1.
What is the InChIKey of 2-(oxolan-2-yl)azepane?
The InChIKey is DCIMNTUWZQNTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-5-9(11-7-3-1)10-6-4-8-12-10/h9-11H,1-8H2.
What are the key properties of 2-(oxolan-2-yl)azepane?
2-(oxolan-2-yl)azepane has a molecular weight of 169.27 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)azepane is sourced from PubChem (CID 4204029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).