(1S,4S,5S)-5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene

C10H14 — CID 6427479

IUPAC(1S,4S,5S)-5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene
SMILESC=C(C)[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C10H14/c1-7(2)10-6-8-3-4-9(10)5-8/h3-4,8-10H,1,5-6H2,2H3/t8-,9+,10+/m0/s1
InChIKeyDMGCMUYMJFRQSK-IVZWLZJFSA-N
MW134.22 g/mol
LogP2.77
Rot. Bonds1

About (1S,4S,5S)-5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene

(1S,4S,5S)-5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene (PubChem CID 6427479) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is (1S,4S,5S)-5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1S,4S,5S)-5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene
PubChem CID6427479
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name(1S,4S,5S)-5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene
SMILESC=C(C)[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C10H14/c1-7(2)10-6-8-3-4-9(10)5-8/h3-4,8-10H,1,5-6H2,2H3/t8-,9+,10+/m0/s1
InChIKeyDMGCMUYMJFRQSK-IVZWLZJFSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.77
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 (1S,4S,5S)-5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1S,4S,5S)-5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene (CID 6427479) is (1S,4S,5S)-5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1S,4S,5S)-5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1S,4S,5S)-5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene is C=C(C)[C@H]1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of (1S,4S,5S)-5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene?
The InChIKey is DMGCMUYMJFRQSK-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H14/c1-7(2)10-6-8-3-4-9(10)5-8/h3-4,8-10H,1,5-6H2,2H3/t8-,9+,10+/m0/s1.
What are the key properties of (1S,4S,5S)-5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene?
(1S,4S,5S)-5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene has a molecular weight of 134.22 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5S)-5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 6427479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).