(1S,2Z,8R)-bicyclo[6.1.0]non-2-ene

C9H14 — CID 12739610

IUPAC(1S,2Z,8R)-bicyclo[6.1.0]non-2-ene
SMILESC1=C\[C@H]2C[C@H]2CCCC/1
InChIInChI=1S/C9H14/c1-2-4-6-9-7-8(9)5-3-1/h3,5,8-9H,1-2,4,6-7H2/b5-3-/t8-,9+/m0/s1
InChIKeyDFBZILPYKSEQDY-LPMXFETPSA-N
MW122.21 g/mol
LogP2.75
Rot. Bonds

About (1S,2Z,8R)-bicyclo[6.1.0]non-2-ene

(1S,2Z,8R)-bicyclo[6.1.0]non-2-ene (PubChem CID 12739610) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (1S,2Z,8R)-bicyclo[6.1.0]non-2-ene.

Molecular Properties

Compound Name(1S,2Z,8R)-bicyclo[6.1.0]non-2-ene
PubChem CID12739610
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(1S,2Z,8R)-bicyclo[6.1.0]non-2-ene
SMILESC1=C\[C@H]2C[C@H]2CCCC/1
InChIInChI=1S/C9H14/c1-2-4-6-9-7-8(9)5-3-1/h3,5,8-9H,1-2,4,6-7H2/b5-3-/t8-,9+/m0/s1
InChIKeyDFBZILPYKSEQDY-LPMXFETPSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-cyclohexylcycloheptene
CID 72711475
(2E,8E)-tricyclo[10.3.0.05,7]pentadeca-2,8-diene
CID 142484210
3-(3-methylcyclopentyl)cycloheptene
CID 163966281
(5E)-bicyclo[9.1.0]dodec-5-ene
CID 144561287
(3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene
CID 95564793
cyclododecene;cyclohexylcyclohexane
CID 173310836
3-(3-methoxycyclohexyl)cyclohexene
CID 89299803
(3Z)-tricyclo[8.2.1.02,9]trideca-3,11-diene
CID 22138459
CID 159099716
CID 159099716
3-cyclohexyl-5-iodocyclohexene
CID 89170570
(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-indene
CID 12721347
3-methylcycloundecene
CID 54531806

Frequently Asked Questions

What is the IUPAC name of (1S,2Z,8R)-bicyclo[6.1.0]non-2-ene?
The IUPAC name of (1S,2Z,8R)-bicyclo[6.1.0]non-2-ene (CID 12739610) is (1S,2Z,8R)-bicyclo[6.1.0]non-2-ene.
What is the SMILES notation for (1S,2Z,8R)-bicyclo[6.1.0]non-2-ene?
The canonical SMILES for (1S,2Z,8R)-bicyclo[6.1.0]non-2-ene is C1=C\[C@H]2C[C@H]2CCCC/1.
What is the InChIKey of (1S,2Z,8R)-bicyclo[6.1.0]non-2-ene?
The InChIKey is DFBZILPYKSEQDY-LPMXFETPSA-N. The full InChI is InChI=1S/C9H14/c1-2-4-6-9-7-8(9)5-3-1/h3,5,8-9H,1-2,4,6-7H2/b5-3-/t8-,9+/m0/s1.
What are the key properties of (1S,2Z,8R)-bicyclo[6.1.0]non-2-ene?
(1S,2Z,8R)-bicyclo[6.1.0]non-2-ene has a molecular weight of 122.21 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2Z,8R)-bicyclo[6.1.0]non-2-ene is sourced from PubChem (CID 12739610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).