CID 58107236

C9H14NO2 — CID 58107236

IUPAC—
SMILESCC12CCC(C)(CC(=O)C1)N2[O]
InChIInChI=1S/C9H14NO2/c1-8-3-4-9(2,10(8)12)6-7(11)5-8/h3-6H2,1-2H3
InChIKeyLQEWFKHKZYFQPZ-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.31
Rot. Bonds

About CID 58107236

CID 58107236 (PubChem CID 58107236) has the molecular formula C9H14NO2 and a molecular weight of 168.22 g/mol.

Molecular Properties

Compound NameCID 58107236
PubChem CID58107236
Molecular FormulaC9H14NO2
Molecular Weight168.22 g/mol
Exact Mass168.10
IUPAC Name—
SMILESCC12CCC(C)(CC(=O)C1)N2[O]
InChIInChI=1S/C9H14NO2/c1-8-3-4-9(2,10(8)12)6-7(11)5-8/h3-6H2,1-2H3
InChIKeyLQEWFKHKZYFQPZ-UHFFFAOYSA-N
XLogP1.31
TPSA40.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58107236?
The IUPAC name of CID 58107236 (CID 58107236) is not available.
What is the SMILES notation for CID 58107236?
The canonical SMILES for CID 58107236 is CC12CCC(C)(CC(=O)C1)N2[O].
What is the InChIKey of CID 58107236?
The InChIKey is LQEWFKHKZYFQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO2/c1-8-3-4-9(2,10(8)12)6-7(11)5-8/h3-6H2,1-2H3.
What are the key properties of CID 58107236?
CID 58107236 has a molecular weight of 168.22 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58107236 is sourced from PubChem (CID 58107236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).