(1S,6S)-3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane

C6H11NO — CID 124845520

IUPAC(1S,6S)-3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
SMILESCN1CC[C@@H]2O[C@H]2C1
InChIInChI=1S/C6H11NO/c1-7-3-2-5-6(4-7)8-5/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyNESUSYSTQOTTLQ-WDSKDSINSA-N
MW113.16 g/mol
LogP0.09
Rot. Bonds

About (1S,6S)-3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane

(1S,6S)-3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane (PubChem CID 124845520) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (1S,6S)-3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,6S)-3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
PubChem CID124845520
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(1S,6S)-3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
SMILESCN1CC[C@@H]2O[C@H]2C1
InChIInChI=1S/C6H11NO/c1-7-3-2-5-6(4-7)8-5/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyNESUSYSTQOTTLQ-WDSKDSINSA-N
XLogP0.09
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2,3a,4,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-ol
CID 139457045
2,5-dimethyl-8-oxa-2,5-diazabicyclo[5.1.0]octane
CID 163573249
2-cyclopropyl-4-methylmorpholine
CID 121357634
(3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine
CID 124858887
benzyl 4-methylbenzenesulfonate;(1S,6R)-3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 91403608
2,6-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-amine
CID 82406454
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
(3R)-1,3-dimethylpyrrolidine
CID 58412242
5-methyl-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 118404444
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
(3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 148741142
2-(1-methylpyrrolidin-3-yl)propane-2-thiol
CID 116866670

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane?
The IUPAC name of (1S,6S)-3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane (CID 124845520) is (1S,6S)-3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,6S)-3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1S,6S)-3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane is CN1CC[C@@H]2O[C@H]2C1.
What is the InChIKey of (1S,6S)-3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane?
The InChIKey is NESUSYSTQOTTLQ-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11NO/c1-7-3-2-5-6(4-7)8-5/h5-6H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (1S,6S)-3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane?
(1S,6S)-3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane has a molecular weight of 113.16 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 124845520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).