CID 58544156

C9H16NO2 — CID 58544156

IUPAC—
SMILES[CH2]OC(C)(C)C1=NOC(C)(C)C1
InChIInChI=1S/C9H16NO2/c1-8(2)6-7(10-12-8)9(3,4)11-5/h5-6H2,1-4H3
InChIKeyAZOHUHPMJNRWNJ-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.13
Rot. Bonds2

About CID 58544156

CID 58544156 (PubChem CID 58544156) has the molecular formula C9H16NO2 and a molecular weight of 170.23 g/mol.

Molecular Properties

Compound NameCID 58544156
PubChem CID58544156
Molecular FormulaC9H16NO2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name—
SMILES[CH2]OC(C)(C)C1=NOC(C)(C)C1
InChIInChI=1S/C9H16NO2/c1-8(2)6-7(10-12-8)9(3,4)11-5/h5-6H2,1-4H3
InChIKeyAZOHUHPMJNRWNJ-UHFFFAOYSA-N
XLogP2.13
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58544156?
The IUPAC name of CID 58544156 (CID 58544156) is not available.
What is the SMILES notation for CID 58544156?
The canonical SMILES for CID 58544156 is [CH2]OC(C)(C)C1=NOC(C)(C)C1.
What is the InChIKey of CID 58544156?
The InChIKey is AZOHUHPMJNRWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO2/c1-8(2)6-7(10-12-8)9(3,4)11-5/h5-6H2,1-4H3.
What are the key properties of CID 58544156?
CID 58544156 has a molecular weight of 170.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58544156 is sourced from PubChem (CID 58544156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).