CID 58544195

C8H13NO2 — CID 58544195

IUPAC—
SMILES[CH]OC(C)C1=NOC(C)(C)C1
InChIInChI=1S/C8H13NO2/c1-6(10-4)7-5-8(2,3)11-9-7/h4,6H,5H2,1-3H3
InChIKeyHHEKWMMADJZOHH-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.61
Rot. Bonds2

About CID 58544195

CID 58544195 (PubChem CID 58544195) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol.

Molecular Properties

Compound NameCID 58544195
PubChem CID58544195
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name—
SMILES[CH]OC(C)C1=NOC(C)(C)C1
InChIInChI=1S/C8H13NO2/c1-6(10-4)7-5-8(2,3)11-9-7/h4,6H,5H2,1-3H3
InChIKeyHHEKWMMADJZOHH-UHFFFAOYSA-N
XLogP1.61
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methoxyethyl)-5,5-dimethyl-4H-1,2-oxazole
CID 20671521
(Z)-N-methoxy-2,2,5,5-tetramethyloxolan-3-imine
CID 20684485
3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole
CID 58544105
CID 58544115
CID 58544115
CID 58544156
CID 58544156
CID 58544224
CID 58544224
CID 58544226
CID 58544226
CID 59967568
CID 59967568
N-methoxy-2,2,5,5-tetramethyloxolan-3-imine
CID 91117299
3-(methoxymethyl)-5,5-dimethyl-4H-1,2-oxazole
CID 123899620
3-(2-Methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole
CID 123949702
4-methoxy-3,5,5-trimethyl-4H-1,2-oxazole
CID 140934005

Frequently Asked Questions

What is the IUPAC name of CID 58544195?
The IUPAC name of CID 58544195 (CID 58544195) is not available.
What is the SMILES notation for CID 58544195?
The canonical SMILES for CID 58544195 is [CH]OC(C)C1=NOC(C)(C)C1.
What is the InChIKey of CID 58544195?
The InChIKey is HHEKWMMADJZOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(10-4)7-5-8(2,3)11-9-7/h4,6H,5H2,1-3H3.
What are the key properties of CID 58544195?
CID 58544195 has a molecular weight of 155.20 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58544195 is sourced from PubChem (CID 58544195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).