1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]propan-1-one

C10H14O — CID 11263582

IUPAC1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]propan-1-one
SMILESCCC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C10H14O/c1-2-10(11)9-6-7-3-4-8(9)5-7/h3-4,7-9H,2,5-6H2,1H3/t7-,8+,9-/m1/s1
InChIKeyQPSCDHQKVFGRQM-HRDYMLBCSA-N
MW150.22 g/mol
LogP2.18
Rot. Bonds2

About 1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]propan-1-one

1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]propan-1-one (PubChem CID 11263582) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]propan-1-one.

Molecular Properties

Compound Name1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]propan-1-one
PubChem CID11263582
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]propan-1-one
SMILESCCC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C10H14O/c1-2-10(11)9-6-7-3-4-8(9)5-7/h3-4,7-9H,2,5-6H2,1H3/t7-,8+,9-/m1/s1
InChIKeyQPSCDHQKVFGRQM-HRDYMLBCSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]propan-1-one?
The IUPAC name of 1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]propan-1-one (CID 11263582) is 1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]propan-1-one.
What is the SMILES notation for 1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]propan-1-one?
The canonical SMILES for 1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]propan-1-one is CCC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of 1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]propan-1-one?
The InChIKey is QPSCDHQKVFGRQM-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H14O/c1-2-10(11)9-6-7-3-4-8(9)5-7/h3-4,7-9H,2,5-6H2,1H3/t7-,8+,9-/m1/s1.
What are the key properties of 1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]propan-1-one?
1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]propan-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]propan-1-one is sourced from PubChem (CID 11263582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).