CID 58544226

C7H12NO2 — CID 58544226

IUPAC—
SMILES[CH2]OCC1=NOC(C)(C)C1
InChIInChI=1S/C7H12NO2/c1-7(2)4-6(5-9-3)8-10-7/h3-5H2,1-2H3
InChIKeyQOFQPGZWDKLZQJ-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.35
Rot. Bonds2

About CID 58544226

CID 58544226 (PubChem CID 58544226) has the molecular formula C7H12NO2 and a molecular weight of 142.18 g/mol.

Molecular Properties

Compound NameCID 58544226
PubChem CID58544226
Molecular FormulaC7H12NO2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name—
SMILES[CH2]OCC1=NOC(C)(C)C1
InChIInChI=1S/C7H12NO2/c1-7(2)4-6(5-9-3)8-10-7/h3-5H2,1-2H3
InChIKeyQOFQPGZWDKLZQJ-UHFFFAOYSA-N
XLogP1.35
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dihydro-5,5-dimethyl-3-isoxazolemethanol
CID 102278697
3-(1-methoxyethyl)-5,5-dimethyl-4H-1,2-oxazole
CID 20671521
3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole
CID 58544105
CID 58544115
CID 58544115
CID 58544156
CID 58544156
CID 58544195
CID 58544195
CID 58544224
CID 58544224
5-(methanidyloxymethyl)-3,5-dimethyl-4H-1,2-oxazole;yttrium
CID 59729894
2-(4,5-Dihydro-1,2-oxazol-3-yl)propan-2-ol
CID 118528273
3-(methoxymethyl)-5,5-dimethyl-4H-1,2-oxazole
CID 123899620
3-(2-Methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole
CID 123949702
3-[(2-Methylpropan-2-yl)oxymethyl]-4,5-dihydro-1,2-oxazole
CID 137447745

Frequently Asked Questions

What is the IUPAC name of CID 58544226?
The IUPAC name of CID 58544226 (CID 58544226) is not available.
What is the SMILES notation for CID 58544226?
The canonical SMILES for CID 58544226 is [CH2]OCC1=NOC(C)(C)C1.
What is the InChIKey of CID 58544226?
The InChIKey is QOFQPGZWDKLZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NO2/c1-7(2)4-6(5-9-3)8-10-7/h3-5H2,1-2H3.
What are the key properties of CID 58544226?
CID 58544226 has a molecular weight of 142.18 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58544226 is sourced from PubChem (CID 58544226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).