1-cycloheptylidene-3-hydroxypropan-2-one

C10H16O2 — CID 86245985

IUPAC1-cycloheptylidene-3-hydroxypropan-2-one
SMILESO=C(C=C1CCCCCC1)CO
InChIInChI=1S/C10H16O2/c11-8-10(12)7-9-5-3-1-2-4-6-9/h7,11H,1-6,8H2
InChIKeyARPSSAXEGHVKTF-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.83
Rot. Bonds2

About 1-cycloheptylidene-3-hydroxypropan-2-one

1-cycloheptylidene-3-hydroxypropan-2-one (PubChem CID 86245985) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-cycloheptylidene-3-hydroxypropan-2-one.

Molecular Properties

Compound Name1-cycloheptylidene-3-hydroxypropan-2-one
PubChem CID86245985
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-cycloheptylidene-3-hydroxypropan-2-one
SMILESO=C(C=C1CCCCCC1)CO
InChIInChI=1S/C10H16O2/c11-8-10(12)7-9-5-3-1-2-4-6-9/h7,11H,1-6,8H2
InChIKeyARPSSAXEGHVKTF-UHFFFAOYSA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptylidene-3-hydroxypropan-2-one?
The IUPAC name of 1-cycloheptylidene-3-hydroxypropan-2-one (CID 86245985) is 1-cycloheptylidene-3-hydroxypropan-2-one.
What is the SMILES notation for 1-cycloheptylidene-3-hydroxypropan-2-one?
The canonical SMILES for 1-cycloheptylidene-3-hydroxypropan-2-one is O=C(C=C1CCCCCC1)CO.
What is the InChIKey of 1-cycloheptylidene-3-hydroxypropan-2-one?
The InChIKey is ARPSSAXEGHVKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-8-10(12)7-9-5-3-1-2-4-6-9/h7,11H,1-6,8H2.
What are the key properties of 1-cycloheptylidene-3-hydroxypropan-2-one?
1-cycloheptylidene-3-hydroxypropan-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptylidene-3-hydroxypropan-2-one is sourced from PubChem (CID 86245985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).