2-[(1R)-3-oxocycloheptyl]cyclohept-2-en-1-one

C14H20O2 — CID 11991784

IUPAC2-[(1R)-3-oxocycloheptyl]cyclohept-2-en-1-one
SMILESO=C1CCCC[C@@H](C2=CCCCCC2=O)C1
InChIInChI=1S/C14H20O2/c15-12-7-5-4-6-11(10-12)13-8-2-1-3-9-14(13)16/h8,11H,1-7,9-10H2/t11-/m1/s1
InChIKeyNIRRMOVHURBXBC-LLVKDONJSA-N
MW220.31 g/mol
LogP3.21
Rot. Bonds1

About 2-[(1R)-3-oxocycloheptyl]cyclohept-2-en-1-one

2-[(1R)-3-oxocycloheptyl]cyclohept-2-en-1-one (PubChem CID 11991784) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-[(1R)-3-oxocycloheptyl]cyclohept-2-en-1-one.

Molecular Properties

Compound Name2-[(1R)-3-oxocycloheptyl]cyclohept-2-en-1-one
PubChem CID11991784
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-[(1R)-3-oxocycloheptyl]cyclohept-2-en-1-one
SMILESO=C1CCCC[C@@H](C2=CCCCCC2=O)C1
InChIInChI=1S/C14H20O2/c15-12-7-5-4-6-11(10-12)13-8-2-1-3-9-14(13)16/h8,11H,1-7,9-10H2/t11-/m1/s1
InChIKeyNIRRMOVHURBXBC-LLVKDONJSA-N
XLogP3.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3-oxocycloheptyl]cyclohept-2-en-1-one?
The IUPAC name of 2-[(1R)-3-oxocycloheptyl]cyclohept-2-en-1-one (CID 11991784) is 2-[(1R)-3-oxocycloheptyl]cyclohept-2-en-1-one.
What is the SMILES notation for 2-[(1R)-3-oxocycloheptyl]cyclohept-2-en-1-one?
The canonical SMILES for 2-[(1R)-3-oxocycloheptyl]cyclohept-2-en-1-one is O=C1CCCC[C@@H](C2=CCCCCC2=O)C1.
What is the InChIKey of 2-[(1R)-3-oxocycloheptyl]cyclohept-2-en-1-one?
The InChIKey is NIRRMOVHURBXBC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20O2/c15-12-7-5-4-6-11(10-12)13-8-2-1-3-9-14(13)16/h8,11H,1-7,9-10H2/t11-/m1/s1.
What are the key properties of 2-[(1R)-3-oxocycloheptyl]cyclohept-2-en-1-one?
2-[(1R)-3-oxocycloheptyl]cyclohept-2-en-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3-oxocycloheptyl]cyclohept-2-en-1-one is sourced from PubChem (CID 11991784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).