(1R,5R)-bicyclo[3.3.1]non-2-ene

C9H14 — CID 101022553

IUPAC(1R,5R)-bicyclo[3.3.1]non-2-ene
SMILESC1=C[C@@H]2CCC[C@H](C1)C2
InChIInChI=1S/C9H14/c1-3-8-5-2-6-9(4-1)7-8/h1,3,8-9H,2,4-7H2/t8-,9+/m1/s1
InChIKeyCEVDPSDZXGCLEI-BDAKNGLRSA-N
MW122.21 g/mol
LogP2.75
Rot. Bonds

About (1R,5R)-bicyclo[3.3.1]non-2-ene

(1R,5R)-bicyclo[3.3.1]non-2-ene (PubChem CID 101022553) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (1R,5R)-bicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name(1R,5R)-bicyclo[3.3.1]non-2-ene
PubChem CID101022553
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(1R,5R)-bicyclo[3.3.1]non-2-ene
SMILESC1=C[C@@H]2CCC[C@H](C1)C2
InChIInChI=1S/C9H14/c1-3-8-5-2-6-9(4-1)7-8/h1,3,8-9H,2,4-7H2/t8-,9+/m1/s1
InChIKeyCEVDPSDZXGCLEI-BDAKNGLRSA-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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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-bicyclo[3.3.1]non-2-ene?
The IUPAC name of (1R,5R)-bicyclo[3.3.1]non-2-ene (CID 101022553) is (1R,5R)-bicyclo[3.3.1]non-2-ene.
What is the SMILES notation for (1R,5R)-bicyclo[3.3.1]non-2-ene?
The canonical SMILES for (1R,5R)-bicyclo[3.3.1]non-2-ene is C1=C[C@@H]2CCC[C@H](C1)C2.
What is the InChIKey of (1R,5R)-bicyclo[3.3.1]non-2-ene?
The InChIKey is CEVDPSDZXGCLEI-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H14/c1-3-8-5-2-6-9(4-1)7-8/h1,3,8-9H,2,4-7H2/t8-,9+/m1/s1.
What are the key properties of (1R,5R)-bicyclo[3.3.1]non-2-ene?
(1R,5R)-bicyclo[3.3.1]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 (1R,5R)-bicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 101022553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).