(5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane

C9H17NO — CID 168881491

IUPAC(5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane
SMILESCOC[C@]12CCCN1[C@H](C)C2
InChIInChI=1S/C9H17NO/c1-8-6-9(7-11-2)4-3-5-10(8)9/h8H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeySFLAIGSCTIBCQB-RKDXNWHRSA-N
MW155.24 g/mol
LogP1.26
Rot. Bonds2

About (5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane

(5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane (PubChem CID 168881491) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane
PubChem CID168881491
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane
SMILESCOC[C@]12CCCN1[C@H](C)C2
InChIInChI=1S/C9H17NO/c1-8-6-9(7-11-2)4-3-5-10(8)9/h8H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeySFLAIGSCTIBCQB-RKDXNWHRSA-N
XLogP1.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane?
The IUPAC name of (5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane (CID 168881491) is (5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane.
What is the SMILES notation for (5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane?
The canonical SMILES for (5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane is COC[C@]12CCCN1[C@H](C)C2.
What is the InChIKey of (5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane?
The InChIKey is SFLAIGSCTIBCQB-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17NO/c1-8-6-9(7-11-2)4-3-5-10(8)9/h8H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane?
(5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane has a molecular weight of 155.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 168881491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).