1-phenyl-N-propan-2-ylmethanimine oxide

C10H13NO — CID 10397124

IUPAC1-phenyl-N-propan-2-ylmethanimine oxide
SMILESCC(C)/[N+]([O-])=C/c1ccccc1
InChIInChI=1S/C10H13NO/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8-
InChIKeyJIKVSVGGHFUVPX-FLIBITNWSA-N
MW163.22 g/mol
LogP2.02
Rot. Bonds2

About 1-phenyl-N-propan-2-ylmethanimine oxide

1-phenyl-N-propan-2-ylmethanimine oxide (PubChem CID 10397124) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-phenyl-N-propan-2-ylmethanimine oxide.

Molecular Properties

Compound Name1-phenyl-N-propan-2-ylmethanimine oxide
PubChem CID10397124
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-phenyl-N-propan-2-ylmethanimine oxide
SMILESCC(C)/[N+]([O-])=C/c1ccccc1
InChIInChI=1S/C10H13NO/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8-
InChIKeyJIKVSVGGHFUVPX-FLIBITNWSA-N
XLogP2.02
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N-(1-phenylethyl)methanimine oxide
CID 23248118
1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide
CID 11042403
1-(4-methylphenyl)-N-propan-2-ylmethanimine oxide
CID 10631145
N-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine oxide
CID 14642521
N-(1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide
CID 135050849
N-(2-methoxy-1-phenylethyl)-1-phenylmethanimine oxide
CID 14642518
1-phenyl-N-(1-phenylbut-3-enyl)methanimine oxide
CID 85304169
1-phenyl-N-[(1S)-1-pyridin-4-ylbut-3-enyl]methanimine oxide
CID 2276429
1-phenyl-N-(1-pyridin-4-ylbut-3-enyl)methanimine oxide
CID 5336966
1-[4-[(3-oxo-1,2-benzoselenazol-2-yl)methyl]phenyl]-N-propan-2-ylmethanimine oxide
CID 59116839
1-[3-[4-oxo-3-(4-phenylphenyl)phthalazin-1-yl]phenyl]-N-propan-2-ylmethanimine oxide
CID 155346249
1-phenyl-N-(1-phenyl-2-phenylselanylethyl)methanimine oxide
CID 139265449

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-propan-2-ylmethanimine oxide?
The IUPAC name of 1-phenyl-N-propan-2-ylmethanimine oxide (CID 10397124) is 1-phenyl-N-propan-2-ylmethanimine oxide.
What is the SMILES notation for 1-phenyl-N-propan-2-ylmethanimine oxide?
The canonical SMILES for 1-phenyl-N-propan-2-ylmethanimine oxide is CC(C)/[N+]([O-])=C/c1ccccc1.
What is the InChIKey of 1-phenyl-N-propan-2-ylmethanimine oxide?
The InChIKey is JIKVSVGGHFUVPX-FLIBITNWSA-N. The full InChI is InChI=1S/C10H13NO/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8-.
What are the key properties of 1-phenyl-N-propan-2-ylmethanimine oxide?
1-phenyl-N-propan-2-ylmethanimine oxide has a molecular weight of 163.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propan-2-ylmethanimine oxide is sourced from PubChem (CID 10397124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).