(5S,6R)-3-methyl-5-prop-2-enyl-7-azabicyclo[4.1.0]hept-2-ene

C10H15N — CID 59076480

IUPAC(5S,6R)-3-methyl-5-prop-2-enyl-7-azabicyclo[4.1.0]hept-2-ene
SMILESC=CC[C@H]1CC(C)=CC2N[C@@H]21
InChIInChI=1S/C10H15N/c1-3-4-8-5-7(2)6-9-10(8)11-9/h3,6,8-11H,1,4-5H2,2H3/t8-,9?,10+/m0/s1
InChIKeyOILXXKZARQVOLD-DJBFQZMMSA-N
MW149.24 g/mol
LogP1.87
Rot. Bonds2

About (5S,6R)-3-methyl-5-prop-2-enyl-7-azabicyclo[4.1.0]hept-2-ene

(5S,6R)-3-methyl-5-prop-2-enyl-7-azabicyclo[4.1.0]hept-2-ene (PubChem CID 59076480) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (5S,6R)-3-methyl-5-prop-2-enyl-7-azabicyclo[4.1.0]hept-2-ene.

Molecular Properties

Compound Name(5S,6R)-3-methyl-5-prop-2-enyl-7-azabicyclo[4.1.0]hept-2-ene
PubChem CID59076480
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(5S,6R)-3-methyl-5-prop-2-enyl-7-azabicyclo[4.1.0]hept-2-ene
SMILESC=CC[C@H]1CC(C)=CC2N[C@@H]21
InChIInChI=1S/C10H15N/c1-3-4-8-5-7(2)6-9-10(8)11-9/h3,6,8-11H,1,4-5H2,2H3/t8-,9?,10+/m0/s1
InChIKeyOILXXKZARQVOLD-DJBFQZMMSA-N
XLogP1.87
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-3-methyl-5-prop-2-enyl-7-azabicyclo[4.1.0]hept-2-ene?
The IUPAC name of (5S,6R)-3-methyl-5-prop-2-enyl-7-azabicyclo[4.1.0]hept-2-ene (CID 59076480) is (5S,6R)-3-methyl-5-prop-2-enyl-7-azabicyclo[4.1.0]hept-2-ene.
What is the SMILES notation for (5S,6R)-3-methyl-5-prop-2-enyl-7-azabicyclo[4.1.0]hept-2-ene?
The canonical SMILES for (5S,6R)-3-methyl-5-prop-2-enyl-7-azabicyclo[4.1.0]hept-2-ene is C=CC[C@H]1CC(C)=CC2N[C@@H]21.
What is the InChIKey of (5S,6R)-3-methyl-5-prop-2-enyl-7-azabicyclo[4.1.0]hept-2-ene?
The InChIKey is OILXXKZARQVOLD-DJBFQZMMSA-N. The full InChI is InChI=1S/C10H15N/c1-3-4-8-5-7(2)6-9-10(8)11-9/h3,6,8-11H,1,4-5H2,2H3/t8-,9?,10+/m0/s1.
What are the key properties of (5S,6R)-3-methyl-5-prop-2-enyl-7-azabicyclo[4.1.0]hept-2-ene?
(5S,6R)-3-methyl-5-prop-2-enyl-7-azabicyclo[4.1.0]hept-2-ene has a molecular weight of 149.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-3-methyl-5-prop-2-enyl-7-azabicyclo[4.1.0]hept-2-ene is sourced from PubChem (CID 59076480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).