(7R)-3,4,7-trimethyl-1,4-oxazepane

C8H17NO — CID 174071951

IUPAC(7R)-3,4,7-trimethyl-1,4-oxazepane
SMILESCC1CO[C@H](C)CCN1C
InChIInChI=1S/C8H17NO/c1-7-6-10-8(2)4-5-9(7)3/h7-8H,4-6H2,1-3H3/t7?,8-/m1/s1
InChIKeyNRPPSRUUKQXLNE-BRFYHDHCSA-N
MW143.23 g/mol
LogP1.12
Rot. Bonds

About (7R)-3,4,7-trimethyl-1,4-oxazepane

(7R)-3,4,7-trimethyl-1,4-oxazepane (PubChem CID 174071951) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (7R)-3,4,7-trimethyl-1,4-oxazepane.

Molecular Properties

Compound Name(7R)-3,4,7-trimethyl-1,4-oxazepane
PubChem CID174071951
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(7R)-3,4,7-trimethyl-1,4-oxazepane
SMILESCC1CO[C@H](C)CCN1C
InChIInChI=1S/C8H17NO/c1-7-6-10-8(2)4-5-9(7)3/h7-8H,4-6H2,1-3H3/t7?,8-/m1/s1
InChIKeyNRPPSRUUKQXLNE-BRFYHDHCSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R)-3,4,7-trimethyl-1,4-oxazepane?
The IUPAC name of (7R)-3,4,7-trimethyl-1,4-oxazepane (CID 174071951) is (7R)-3,4,7-trimethyl-1,4-oxazepane.
What is the SMILES notation for (7R)-3,4,7-trimethyl-1,4-oxazepane?
The canonical SMILES for (7R)-3,4,7-trimethyl-1,4-oxazepane is CC1CO[C@H](C)CCN1C.
What is the InChIKey of (7R)-3,4,7-trimethyl-1,4-oxazepane?
The InChIKey is NRPPSRUUKQXLNE-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H17NO/c1-7-6-10-8(2)4-5-9(7)3/h7-8H,4-6H2,1-3H3/t7?,8-/m1/s1.
What are the key properties of (7R)-3,4,7-trimethyl-1,4-oxazepane?
(7R)-3,4,7-trimethyl-1,4-oxazepane has a molecular weight of 143.23 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3,4,7-trimethyl-1,4-oxazepane is sourced from PubChem (CID 174071951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).