1-[(1R)-cyclohept-2-en-1-yl]propan-2-one

C10H16O — CID 101360407

IUPAC1-[(1R)-cyclohept-2-en-1-yl]propan-2-one
SMILESCC(=O)C[C@@H]1C=CCCCC1
InChIInChI=1S/C10H16O/c1-9(11)8-10-6-4-2-3-5-7-10/h4,6,10H,2-3,5,7-8H2,1H3/t10-/m1/s1
InChIKeyLBMIWGMCBHBKKD-SNVBAGLBSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds2

About 1-[(1R)-cyclohept-2-en-1-yl]propan-2-one

1-[(1R)-cyclohept-2-en-1-yl]propan-2-one (PubChem CID 101360407) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-[(1R)-cyclohept-2-en-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[(1R)-cyclohept-2-en-1-yl]propan-2-one
PubChem CID101360407
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-[(1R)-cyclohept-2-en-1-yl]propan-2-one
SMILESCC(=O)C[C@@H]1C=CCCCC1
InChIInChI=1S/C10H16O/c1-9(11)8-10-6-4-2-3-5-7-10/h4,6,10H,2-3,5,7-8H2,1H3/t10-/m1/s1
InChIKeyLBMIWGMCBHBKKD-SNVBAGLBSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
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)-cyclohept-2-en-1-yl]propan-2-one?
The IUPAC name of 1-[(1R)-cyclohept-2-en-1-yl]propan-2-one (CID 101360407) is 1-[(1R)-cyclohept-2-en-1-yl]propan-2-one.
What is the SMILES notation for 1-[(1R)-cyclohept-2-en-1-yl]propan-2-one?
The canonical SMILES for 1-[(1R)-cyclohept-2-en-1-yl]propan-2-one is CC(=O)C[C@@H]1C=CCCCC1.
What is the InChIKey of 1-[(1R)-cyclohept-2-en-1-yl]propan-2-one?
The InChIKey is LBMIWGMCBHBKKD-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16O/c1-9(11)8-10-6-4-2-3-5-7-10/h4,6,10H,2-3,5,7-8H2,1H3/t10-/m1/s1.
What are the key properties of 1-[(1R)-cyclohept-2-en-1-yl]propan-2-one?
1-[(1R)-cyclohept-2-en-1-yl]propan-2-one has a molecular weight of 152.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-cyclohept-2-en-1-yl]propan-2-one is sourced from PubChem (CID 101360407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).