5-(2-methylprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane

C9H15NO — CID 131065856

IUPAC5-(2-methylprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESC=C(C)CN1CCOC2CC21
InChIInChI=1S/C9H15NO/c1-7(2)6-10-3-4-11-9-5-8(9)10/h8-9H,1,3-6H2,2H3
InChIKeyMGIODDPSNKSCFH-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.04
Rot. Bonds2

About 5-(2-methylprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane

5-(2-methylprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane (PubChem CID 131065856) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5-(2-methylprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name5-(2-methylprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane
PubChem CID131065856
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5-(2-methylprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESC=C(C)CN1CCOC2CC21
InChIInChI=1S/C9H15NO/c1-7(2)6-10-3-4-11-9-5-8(9)10/h8-9H,1,3-6H2,2H3
InChIKeyMGIODDPSNKSCFH-UHFFFAOYSA-N
XLogP1.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane
CID 118180171
(1S,6R)-5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane
CID 168795690
(6S)-5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane
CID 168795707
(1R)-5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane
CID 170003692
(1R,6S)-5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane
CID 170004723
5-But-3-enyl-2-oxa-5-azabicyclo[4.1.0]heptane
CID 126995064
5-(2-Chloroprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 130652529
5-Propyl-2-oxa-5-azabicyclo[4.1.0]heptane
CID 130748392
5-Prop-2-enyl-2-oxa-5-azabicyclo[4.1.0]heptane
CID 131084549
5-(2-Bromoprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 131160162

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane?
The IUPAC name of 5-(2-methylprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane (CID 131065856) is 5-(2-methylprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 5-(2-methylprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane?
The canonical SMILES for 5-(2-methylprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane is C=C(C)CN1CCOC2CC21.
What is the InChIKey of 5-(2-methylprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane?
The InChIKey is MGIODDPSNKSCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)6-10-3-4-11-9-5-8(9)10/h8-9H,1,3-6H2,2H3.
What are the key properties of 5-(2-methylprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane?
5-(2-methylprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane has a molecular weight of 153.22 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 131065856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).