CID 102016572

C7H9O2 — CID 102016572

IUPAC—
SMILES[CH2]CC1CC(=O)C=CO1
InChIInChI=1S/C7H9O2/c1-2-7-5-6(8)3-4-9-7/h3-4,7H,1-2,5H2
InChIKeyHCFSKMYLDUADFN-UHFFFAOYSA-N
MW125.15 g/mol
LogP1.08
Rot. Bonds1

About CID 102016572

CID 102016572 (PubChem CID 102016572) has the molecular formula C7H9O2 and a molecular weight of 125.15 g/mol.

Molecular Properties

Compound NameCID 102016572
PubChem CID102016572
Molecular FormulaC7H9O2
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name—
SMILES[CH2]CC1CC(=O)C=CO1
InChIInChI=1S/C7H9O2/c1-2-7-5-6(8)3-4-9-7/h3-4,7H,1-2,5H2
InChIKeyHCFSKMYLDUADFN-UHFFFAOYSA-N
XLogP1.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 102016572?
The IUPAC name of CID 102016572 (CID 102016572) is not available.
What is the SMILES notation for CID 102016572?
The canonical SMILES for CID 102016572 is [CH2]CC1CC(=O)C=CO1.
What is the InChIKey of CID 102016572?
The InChIKey is HCFSKMYLDUADFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O2/c1-2-7-5-6(8)3-4-9-7/h3-4,7H,1-2,5H2.
What are the key properties of CID 102016572?
CID 102016572 has a molecular weight of 125.15 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102016572 is sourced from PubChem (CID 102016572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).