CID 59967568

C9H16NO2 — CID 59967568

IUPAC—
SMILES[CH2]O/N=C1/CC(C)(C)OC1(C)C
InChIInChI=1S/C9H16NO2/c1-8(2)6-7(10-11-5)9(3,4)12-8/h5-6H2,1-4H3/b10-7-
InChIKeyLHLVEXYUQSDKSV-YFHOEESVSA-N
MW170.23 g/mol
LogP2.13
Rot. Bonds1

About CID 59967568

CID 59967568 (PubChem CID 59967568) has the molecular formula C9H16NO2 and a molecular weight of 170.23 g/mol.

Molecular Properties

Compound NameCID 59967568
PubChem CID59967568
Molecular FormulaC9H16NO2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name—
SMILES[CH2]O/N=C1/CC(C)(C)OC1(C)C
InChIInChI=1S/C9H16NO2/c1-8(2)6-7(10-11-5)9(3,4)12-8/h5-6H2,1-4H3/b10-7-
InChIKeyLHLVEXYUQSDKSV-YFHOEESVSA-N
XLogP2.13
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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 58544156
CID 58544156
CID 58544195
CID 58544195
CID 58544224
CID 58544224
N-methoxy-2,2,5,5-tetramethyloxolan-3-imine
CID 91117299
2,2,5,5-tetramethyl-3,4(2H, 5H)-furandione dioxime
CID 136378421
methane;3-(methoxymethyl)-5,5-dimethyl-4H-1,2-oxazole
CID 159243780
Methane;3-(2-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole
CID 160032531
methane;3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole
CID 160483254
methane;3-(1-methoxyethyl)-5,5-dimethyl-4H-1,2-oxazole
CID 160495536

Frequently Asked Questions

What is the IUPAC name of CID 59967568?
The IUPAC name of CID 59967568 (CID 59967568) is not available.
What is the SMILES notation for CID 59967568?
The canonical SMILES for CID 59967568 is [CH2]O/N=C1/CC(C)(C)OC1(C)C.
What is the InChIKey of CID 59967568?
The InChIKey is LHLVEXYUQSDKSV-YFHOEESVSA-N. The full InChI is InChI=1S/C9H16NO2/c1-8(2)6-7(10-11-5)9(3,4)12-8/h5-6H2,1-4H3/b10-7-.
What are the key properties of CID 59967568?
CID 59967568 has a molecular weight of 170.23 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59967568 is sourced from PubChem (CID 59967568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).