(1S)-3-methyl-3-azabicyclo[4.1.0]hept-5-ene

C7H11N — CID 163516716

IUPAC(1S)-3-methyl-3-azabicyclo[4.1.0]hept-5-ene
SMILESCN1CC=C2C[C@@H]2C1
InChIInChI=1S/C7H11N/c1-8-3-2-6-4-7(6)5-8/h2,7H,3-5H2,1H3/t7-/m1/s1
InChIKeyDHJOPLVZNZCENE-SSDOTTSWSA-N
MW109.17 g/mol
LogP0.88
Rot. Bonds

About (1S)-3-methyl-3-azabicyclo[4.1.0]hept-5-ene

(1S)-3-methyl-3-azabicyclo[4.1.0]hept-5-ene (PubChem CID 163516716) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (1S)-3-methyl-3-azabicyclo[4.1.0]hept-5-ene.

Molecular Properties

Compound Name(1S)-3-methyl-3-azabicyclo[4.1.0]hept-5-ene
PubChem CID163516716
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(1S)-3-methyl-3-azabicyclo[4.1.0]hept-5-ene
SMILESCN1CC=C2C[C@@H]2C1
InChIInChI=1S/C7H11N/c1-8-3-2-6-4-7(6)5-8/h2,7H,3-5H2,1H3/t7-/m1/s1
InChIKeyDHJOPLVZNZCENE-SSDOTTSWSA-N
XLogP0.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-3-methyl-3-azabicyclo[4.1.0]hept-5-ene?
The IUPAC name of (1S)-3-methyl-3-azabicyclo[4.1.0]hept-5-ene (CID 163516716) is (1S)-3-methyl-3-azabicyclo[4.1.0]hept-5-ene.
What is the SMILES notation for (1S)-3-methyl-3-azabicyclo[4.1.0]hept-5-ene?
The canonical SMILES for (1S)-3-methyl-3-azabicyclo[4.1.0]hept-5-ene is CN1CC=C2C[C@@H]2C1.
What is the InChIKey of (1S)-3-methyl-3-azabicyclo[4.1.0]hept-5-ene?
The InChIKey is DHJOPLVZNZCENE-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11N/c1-8-3-2-6-4-7(6)5-8/h2,7H,3-5H2,1H3/t7-/m1/s1.
What are the key properties of (1S)-3-methyl-3-azabicyclo[4.1.0]hept-5-ene?
(1S)-3-methyl-3-azabicyclo[4.1.0]hept-5-ene has a molecular weight of 109.17 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methyl-3-azabicyclo[4.1.0]hept-5-ene is sourced from PubChem (CID 163516716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).