(1R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hex-2-ene

C8H13N — CID 123265805

IUPAC(1R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hex-2-ene
SMILESCC1=NC[C@H]2[C@@H]1C2(C)C
InChIInChI=1S/C8H13N/c1-5-7-6(4-9-5)8(7,2)3/h6-7H,4H2,1-3H3/t6-,7+/m0/s1
InChIKeyRVGOTHWMITWWHR-NKWVEPMBSA-N
MW123.20 g/mol
LogP1.73
Rot. Bonds

About (1R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hex-2-ene

(1R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hex-2-ene (PubChem CID 123265805) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (1R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name(1R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hex-2-ene
PubChem CID123265805
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(1R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hex-2-ene
SMILESCC1=NC[C@H]2[C@@H]1C2(C)C
InChIInChI=1S/C8H13N/c1-5-7-6(4-9-5)8(7,2)3/h6-7H,4H2,1-3H3/t6-,7+/m0/s1
InChIKeyRVGOTHWMITWWHR-NKWVEPMBSA-N
XLogP1.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hex-2-ene?
The IUPAC name of (1R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hex-2-ene (CID 123265805) is (1R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for (1R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hex-2-ene?
The canonical SMILES for (1R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hex-2-ene is CC1=NC[C@H]2[C@@H]1C2(C)C.
What is the InChIKey of (1R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hex-2-ene?
The InChIKey is RVGOTHWMITWWHR-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H13N/c1-5-7-6(4-9-5)8(7,2)3/h6-7H,4H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of (1R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hex-2-ene?
(1R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hex-2-ene has a molecular weight of 123.20 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 123265805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).