3-cycloheptylprop-1-en-1-one

C10H16O — CID 19699925

IUPAC3-cycloheptylprop-1-en-1-one
SMILESO=C=CCC1CCCCCC1
InChIInChI=1S/C10H16O/c11-9-5-8-10-6-3-1-2-4-7-10/h5,10H,1-4,6-8H2
InChIKeyAQTIRZCXUYRPBA-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.73
Rot. Bonds2

About 3-cycloheptylprop-1-en-1-one

3-cycloheptylprop-1-en-1-one (PubChem CID 19699925) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-cycloheptylprop-1-en-1-one.

Molecular Properties

Compound Name3-cycloheptylprop-1-en-1-one
PubChem CID19699925
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-cycloheptylprop-1-en-1-one
SMILESO=C=CCC1CCCCCC1
InChIInChI=1S/C10H16O/c11-9-5-8-10-6-3-1-2-4-7-10/h5,10H,1-4,6-8H2
InChIKeyAQTIRZCXUYRPBA-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptylprop-1-en-1-one?
The IUPAC name of 3-cycloheptylprop-1-en-1-one (CID 19699925) is 3-cycloheptylprop-1-en-1-one.
What is the SMILES notation for 3-cycloheptylprop-1-en-1-one?
The canonical SMILES for 3-cycloheptylprop-1-en-1-one is O=C=CCC1CCCCCC1.
What is the InChIKey of 3-cycloheptylprop-1-en-1-one?
The InChIKey is AQTIRZCXUYRPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c11-9-5-8-10-6-3-1-2-4-7-10/h5,10H,1-4,6-8H2.
What are the key properties of 3-cycloheptylprop-1-en-1-one?
3-cycloheptylprop-1-en-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptylprop-1-en-1-one is sourced from PubChem (CID 19699925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).