(1'R,2'S,4'R,5'S)-spiro[cyclopropane-1,8'-tricyclo[3.2.1.02,4]oct-6-ene]

C10H12 — CID 13434773

IUPAC(1'R,2'S,4'R,5'S)-spiro[cyclopropane-1,8'-tricyclo[3.2.1.02,4]oct-6-ene]
SMILESC1=C[C@H]2[C@@H]3C[C@@H]3[C@@H]1C21CC1
InChIInChI=1S/C10H12/c1-2-9-7-5-6(7)8(1)10(9)3-4-10/h1-2,6-9H,3-5H2/t6-,7+,8+,9-
InChIKeyRFUFIAVZMUUTNM-OJOKCITNSA-N
MW132.21 g/mol
LogP2.22
Rot. Bonds

About (1'R,2'S,4'R,5'S)-spiro[cyclopropane-1,8'-tricyclo[3.2.1.02,4]oct-6-ene]

(1'R,2'S,4'R,5'S)-spiro[cyclopropane-1,8'-tricyclo[3.2.1.02,4]oct-6-ene] (PubChem CID 13434773) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is (1'R,2'S,4'R,5'S)-spiro[cyclopropane-1,8'-tricyclo[3.2.1.02,4]oct-6-ene].

Molecular Properties

Compound Name(1'R,2'S,4'R,5'S)-spiro[cyclopropane-1,8'-tricyclo[3.2.1.02,4]oct-6-ene]
PubChem CID13434773
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name(1'R,2'S,4'R,5'S)-spiro[cyclopropane-1,8'-tricyclo[3.2.1.02,4]oct-6-ene]
SMILESC1=C[C@H]2[C@@H]3C[C@@H]3[C@@H]1C21CC1
InChIInChI=1S/C10H12/c1-2-9-7-5-6(7)8(1)10(9)3-4-10/h1-2,6-9H,3-5H2/t6-,7+,8+,9-
InChIKeyRFUFIAVZMUUTNM-OJOKCITNSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.22
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 (1'R,2'S,4'R,5'S)-spiro[cyclopropane-1,8'-tricyclo[3.2.1.02,4]oct-6-ene]?
The IUPAC name of (1'R,2'S,4'R,5'S)-spiro[cyclopropane-1,8'-tricyclo[3.2.1.02,4]oct-6-ene] (CID 13434773) is (1'R,2'S,4'R,5'S)-spiro[cyclopropane-1,8'-tricyclo[3.2.1.02,4]oct-6-ene].
What is the SMILES notation for (1'R,2'S,4'R,5'S)-spiro[cyclopropane-1,8'-tricyclo[3.2.1.02,4]oct-6-ene]?
The canonical SMILES for (1'R,2'S,4'R,5'S)-spiro[cyclopropane-1,8'-tricyclo[3.2.1.02,4]oct-6-ene] is C1=C[C@H]2[C@@H]3C[C@@H]3[C@@H]1C21CC1.
What is the InChIKey of (1'R,2'S,4'R,5'S)-spiro[cyclopropane-1,8'-tricyclo[3.2.1.02,4]oct-6-ene]?
The InChIKey is RFUFIAVZMUUTNM-OJOKCITNSA-N. The full InChI is InChI=1S/C10H12/c1-2-9-7-5-6(7)8(1)10(9)3-4-10/h1-2,6-9H,3-5H2/t6-,7+,8+,9-.
What are the key properties of (1'R,2'S,4'R,5'S)-spiro[cyclopropane-1,8'-tricyclo[3.2.1.02,4]oct-6-ene]?
(1'R,2'S,4'R,5'S)-spiro[cyclopropane-1,8'-tricyclo[3.2.1.02,4]oct-6-ene] has a molecular weight of 132.21 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,2'S,4'R,5'S)-spiro[cyclopropane-1,8'-tricyclo[3.2.1.02,4]oct-6-ene] is sourced from PubChem (CID 13434773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).