(6R)-6-cyclopropyl-4-propan-2-yl-1,4-oxazepane

C11H21NO — CID 176594342

IUPAC(6R)-6-cyclopropyl-4-propan-2-yl-1,4-oxazepane
SMILESCC(C)N1CCOC[C@H](C2CC2)C1
InChIInChI=1S/C11H21NO/c1-9(2)12-5-6-13-8-11(7-12)10-3-4-10/h9-11H,3-8H2,1-2H3/t11-/m1/s1
InChIKeyZPBRBIXVYDLUQL-LLVKDONJSA-N
MW183.30 g/mol
LogP1.75
Rot. Bonds2

About (6R)-6-cyclopropyl-4-propan-2-yl-1,4-oxazepane

(6R)-6-cyclopropyl-4-propan-2-yl-1,4-oxazepane (PubChem CID 176594342) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is (6R)-6-cyclopropyl-4-propan-2-yl-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-6-cyclopropyl-4-propan-2-yl-1,4-oxazepane
PubChem CID176594342
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name(6R)-6-cyclopropyl-4-propan-2-yl-1,4-oxazepane
SMILESCC(C)N1CCOC[C@H](C2CC2)C1
InChIInChI=1S/C11H21NO/c1-9(2)12-5-6-13-8-11(7-12)10-3-4-10/h9-11H,3-8H2,1-2H3/t11-/m1/s1
InChIKeyZPBRBIXVYDLUQL-LLVKDONJSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-cyclopropyl-4-propan-2-yl-1,4-oxazepane?
The IUPAC name of (6R)-6-cyclopropyl-4-propan-2-yl-1,4-oxazepane (CID 176594342) is (6R)-6-cyclopropyl-4-propan-2-yl-1,4-oxazepane.
What is the SMILES notation for (6R)-6-cyclopropyl-4-propan-2-yl-1,4-oxazepane?
The canonical SMILES for (6R)-6-cyclopropyl-4-propan-2-yl-1,4-oxazepane is CC(C)N1CCOC[C@H](C2CC2)C1.
What is the InChIKey of (6R)-6-cyclopropyl-4-propan-2-yl-1,4-oxazepane?
The InChIKey is ZPBRBIXVYDLUQL-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)12-5-6-13-8-11(7-12)10-3-4-10/h9-11H,3-8H2,1-2H3/t11-/m1/s1.
What are the key properties of (6R)-6-cyclopropyl-4-propan-2-yl-1,4-oxazepane?
(6R)-6-cyclopropyl-4-propan-2-yl-1,4-oxazepane has a molecular weight of 183.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-cyclopropyl-4-propan-2-yl-1,4-oxazepane is sourced from PubChem (CID 176594342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).