(5S)-tricyclo[3.1.1.02,4]hept-1(6)-ene

C7H8 — CID 147481647

IUPAC(5S)-tricyclo[3.1.1.02,4]hept-1(6)-ene
SMILESC1=C2C[C@H]1C1CC21
InChIInChI=1S/C7H8/c1-4-2-5(1)7-3-6(4)7/h1,4,6-7H,2-3H2/t4-,6?,7?/m0/s1
InChIKeyFDTMYGREFTVQHB-ISGODVSSSA-N
MW92.14 g/mol
LogP1.58
Rot. Bonds

About (5S)-tricyclo[3.1.1.02,4]hept-1(6)-ene

(5S)-tricyclo[3.1.1.02,4]hept-1(6)-ene (PubChem CID 147481647) has the molecular formula C7H8 and a molecular weight of 92.14 g/mol. Its IUPAC name is (5S)-tricyclo[3.1.1.02,4]hept-1(6)-ene.

Molecular Properties

Compound Name(5S)-tricyclo[3.1.1.02,4]hept-1(6)-ene
PubChem CID147481647
Molecular FormulaC7H8
Molecular Weight92.14 g/mol
Exact Mass92.06
IUPAC Name(5S)-tricyclo[3.1.1.02,4]hept-1(6)-ene
SMILESC1=C2C[C@H]1C1CC21
InChIInChI=1S/C7H8/c1-4-2-5(1)7-3-6(4)7/h1,4,6-7H,2-3H2/t4-,6?,7?/m0/s1
InChIKeyFDTMYGREFTVQHB-ISGODVSSSA-N
XLogP1.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (5S)-tricyclo[3.1.1.02,4]hept-1(6)-ene?
The IUPAC name of (5S)-tricyclo[3.1.1.02,4]hept-1(6)-ene (CID 147481647) is (5S)-tricyclo[3.1.1.02,4]hept-1(6)-ene.
What is the SMILES notation for (5S)-tricyclo[3.1.1.02,4]hept-1(6)-ene?
The canonical SMILES for (5S)-tricyclo[3.1.1.02,4]hept-1(6)-ene is C1=C2C[C@H]1C1CC21.
What is the InChIKey of (5S)-tricyclo[3.1.1.02,4]hept-1(6)-ene?
The InChIKey is FDTMYGREFTVQHB-ISGODVSSSA-N. The full InChI is InChI=1S/C7H8/c1-4-2-5(1)7-3-6(4)7/h1,4,6-7H,2-3H2/t4-,6?,7?/m0/s1.
What are the key properties of (5S)-tricyclo[3.1.1.02,4]hept-1(6)-ene?
(5S)-tricyclo[3.1.1.02,4]hept-1(6)-ene has a molecular weight of 92.14 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-tricyclo[3.1.1.02,4]hept-1(6)-ene is sourced from PubChem (CID 147481647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).