(1R,2S,6S)-4-methyl-2-prop-2-enyl-7-azabicyclo[4.1.0]hept-3-ene

C10H15N — CID 59076526

IUPAC(1R,2S,6S)-4-methyl-2-prop-2-enyl-7-azabicyclo[4.1.0]hept-3-ene
SMILESC=CC[C@H]1C=C(C)C[C@@H]2N[C@H]12
InChIInChI=1S/C10H15N/c1-3-4-8-5-7(2)6-9-10(8)11-9/h3,5,8-11H,1,4,6H2,2H3/t8-,9-,10+/m0/s1
InChIKeyAYFLREDJLNNRNY-LPEHRKFASA-N
MW149.24 g/mol
LogP1.87
Rot. Bonds2

About (1R,2S,6S)-4-methyl-2-prop-2-enyl-7-azabicyclo[4.1.0]hept-3-ene

(1R,2S,6S)-4-methyl-2-prop-2-enyl-7-azabicyclo[4.1.0]hept-3-ene (PubChem CID 59076526) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (1R,2S,6S)-4-methyl-2-prop-2-enyl-7-azabicyclo[4.1.0]hept-3-ene.

Molecular Properties

Compound Name(1R,2S,6S)-4-methyl-2-prop-2-enyl-7-azabicyclo[4.1.0]hept-3-ene
PubChem CID59076526
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(1R,2S,6S)-4-methyl-2-prop-2-enyl-7-azabicyclo[4.1.0]hept-3-ene
SMILESC=CC[C@H]1C=C(C)C[C@@H]2N[C@H]12
InChIInChI=1S/C10H15N/c1-3-4-8-5-7(2)6-9-10(8)11-9/h3,5,8-11H,1,4,6H2,2H3/t8-,9-,10+/m0/s1
InChIKeyAYFLREDJLNNRNY-LPEHRKFASA-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 (1R,2S,6S)-4-methyl-2-prop-2-enyl-7-azabicyclo[4.1.0]hept-3-ene?
The IUPAC name of (1R,2S,6S)-4-methyl-2-prop-2-enyl-7-azabicyclo[4.1.0]hept-3-ene (CID 59076526) is (1R,2S,6S)-4-methyl-2-prop-2-enyl-7-azabicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for (1R,2S,6S)-4-methyl-2-prop-2-enyl-7-azabicyclo[4.1.0]hept-3-ene?
The canonical SMILES for (1R,2S,6S)-4-methyl-2-prop-2-enyl-7-azabicyclo[4.1.0]hept-3-ene is C=CC[C@H]1C=C(C)C[C@@H]2N[C@H]12.
What is the InChIKey of (1R,2S,6S)-4-methyl-2-prop-2-enyl-7-azabicyclo[4.1.0]hept-3-ene?
The InChIKey is AYFLREDJLNNRNY-LPEHRKFASA-N. The full InChI is InChI=1S/C10H15N/c1-3-4-8-5-7(2)6-9-10(8)11-9/h3,5,8-11H,1,4,6H2,2H3/t8-,9-,10+/m0/s1.
What are the key properties of (1R,2S,6S)-4-methyl-2-prop-2-enyl-7-azabicyclo[4.1.0]hept-3-ene?
(1R,2S,6S)-4-methyl-2-prop-2-enyl-7-azabicyclo[4.1.0]hept-3-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 (1R,2S,6S)-4-methyl-2-prop-2-enyl-7-azabicyclo[4.1.0]hept-3-ene is sourced from PubChem (CID 59076526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).