5,6-di(propan-2-ylidene)-1,4-oxazepane

C11H19NO — CID 90244248

IUPAC5,6-di(propan-2-ylidene)-1,4-oxazepane
SMILESCC(C)=C1COCCNC1=C(C)C
InChIInChI=1S/C11H19NO/c1-8(2)10-7-13-6-5-12-11(10)9(3)4/h12H,5-7H2,1-4H3
InChIKeyRXYCHEKMDNNMRW-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.24
Rot. Bonds

About 5,6-di(propan-2-ylidene)-1,4-oxazepane

5,6-di(propan-2-ylidene)-1,4-oxazepane (PubChem CID 90244248) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5,6-di(propan-2-ylidene)-1,4-oxazepane.

Molecular Properties

Compound Name5,6-di(propan-2-ylidene)-1,4-oxazepane
PubChem CID90244248
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5,6-di(propan-2-ylidene)-1,4-oxazepane
SMILESCC(C)=C1COCCNC1=C(C)C
InChIInChI=1S/C11H19NO/c1-8(2)10-7-13-6-5-12-11(10)9(3)4/h12H,5-7H2,1-4H3
InChIKeyRXYCHEKMDNNMRW-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-di(propan-2-ylidene)-1,4-oxazepane?
The IUPAC name of 5,6-di(propan-2-ylidene)-1,4-oxazepane (CID 90244248) is 5,6-di(propan-2-ylidene)-1,4-oxazepane.
What is the SMILES notation for 5,6-di(propan-2-ylidene)-1,4-oxazepane?
The canonical SMILES for 5,6-di(propan-2-ylidene)-1,4-oxazepane is CC(C)=C1COCCNC1=C(C)C.
What is the InChIKey of 5,6-di(propan-2-ylidene)-1,4-oxazepane?
The InChIKey is RXYCHEKMDNNMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)10-7-13-6-5-12-11(10)9(3)4/h12H,5-7H2,1-4H3.
What are the key properties of 5,6-di(propan-2-ylidene)-1,4-oxazepane?
5,6-di(propan-2-ylidene)-1,4-oxazepane has a molecular weight of 181.28 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(propan-2-ylidene)-1,4-oxazepane is sourced from PubChem (CID 90244248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).