(1S,5S)-2-methyl-6-methylidene-2-azabicyclo[3.1.0]hexane

C7H11N — CID 139495970

IUPAC(1S,5S)-2-methyl-6-methylidene-2-azabicyclo[3.1.0]hexane
SMILESC=C1[C@@H]2[C@H]1CCN2C
InChIInChI=1S/C7H11N/c1-5-6-3-4-8(2)7(5)6/h6-7H,1,3-4H2,2H3/t6-,7+/m0/s1
InChIKeyZHGAOUZUMJKDOC-NKWVEPMBSA-N
MW109.17 g/mol
LogP0.88
Rot. Bonds

About (1S,5S)-2-methyl-6-methylidene-2-azabicyclo[3.1.0]hexane

(1S,5S)-2-methyl-6-methylidene-2-azabicyclo[3.1.0]hexane (PubChem CID 139495970) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (1S,5S)-2-methyl-6-methylidene-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5S)-2-methyl-6-methylidene-2-azabicyclo[3.1.0]hexane
PubChem CID139495970
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(1S,5S)-2-methyl-6-methylidene-2-azabicyclo[3.1.0]hexane
SMILESC=C1[C@@H]2[C@H]1CCN2C
InChIInChI=1S/C7H11N/c1-5-6-3-4-8(2)7(5)6/h6-7H,1,3-4H2,2H3/t6-,7+/m0/s1
InChIKeyZHGAOUZUMJKDOC-NKWVEPMBSA-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,5S)-2-methyl-6-methylidene-2-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5S)-2-methyl-6-methylidene-2-azabicyclo[3.1.0]hexane (CID 139495970) is (1S,5S)-2-methyl-6-methylidene-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5S)-2-methyl-6-methylidene-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5S)-2-methyl-6-methylidene-2-azabicyclo[3.1.0]hexane is C=C1[C@@H]2[C@H]1CCN2C.
What is the InChIKey of (1S,5S)-2-methyl-6-methylidene-2-azabicyclo[3.1.0]hexane?
The InChIKey is ZHGAOUZUMJKDOC-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H11N/c1-5-6-3-4-8(2)7(5)6/h6-7H,1,3-4H2,2H3/t6-,7+/m0/s1.
What are the key properties of (1S,5S)-2-methyl-6-methylidene-2-azabicyclo[3.1.0]hexane?
(1S,5S)-2-methyl-6-methylidene-2-azabicyclo[3.1.0]hexane 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,5S)-2-methyl-6-methylidene-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 139495970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).