1-(4-chlorophenyl)-N-propan-2-ylmethanimine oxide

C10H12ClNO — CID 10512144

IUPAC1-(4-chlorophenyl)-N-propan-2-ylmethanimine oxide
SMILESCC(C)/[N+]([O-])=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO/c1-8(2)12(13)7-9-3-5-10(11)6-4-9/h3-8H,1-2H3/b12-7-
InChIKeyPIAZMAPCYYZRRO-GHXNOFRVSA-N
MW197.66 g/mol
LogP2.68
Rot. Bonds2

About 1-(4-chlorophenyl)-N-propan-2-ylmethanimine oxide

1-(4-chlorophenyl)-N-propan-2-ylmethanimine oxide (PubChem CID 10512144) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-propan-2-ylmethanimine oxide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-propan-2-ylmethanimine oxide
PubChem CID10512144
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name1-(4-chlorophenyl)-N-propan-2-ylmethanimine oxide
SMILESCC(C)/[N+]([O-])=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO/c1-8(2)12(13)7-9-3-5-10(11)6-4-9/h3-8H,1-2H3/b12-7-
InChIKeyPIAZMAPCYYZRRO-GHXNOFRVSA-N
XLogP2.68
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.68
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

4-Chlorobenzaldehyde oxime
CID 5356407
1-(4-Chlorophenyl)-1-ethanone oxime
CID 5399157
Ap-18
CID 9584673
3-Chlorobenzaldehyde oxime
CID 5372363
Benzaldehyde, 2-chloro-, oxime
CID 6861540
Benzaldehyde, p-chloro-, dimethylhydrazone
CID 9578518
[(4-Chlorophenyl)methylidene](methyl)amine
CID 11062589
(NZ)-N-[(E)-4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine
CID 5716410
(C(Z))-2-Chlorobenzaldehyde oxime
CID 5399018
(z)-N-(t-butyl)-1-(4-chlorophenyl)methanimine oxide
CID 11321805
anti-p-Chlorobenzaldoxime
CID 5354056
Acetophenone, 4'-chloro-, oxime
CID 5462557

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-propan-2-ylmethanimine oxide?
The IUPAC name of 1-(4-chlorophenyl)-N-propan-2-ylmethanimine oxide (CID 10512144) is 1-(4-chlorophenyl)-N-propan-2-ylmethanimine oxide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-propan-2-ylmethanimine oxide?
The canonical SMILES for 1-(4-chlorophenyl)-N-propan-2-ylmethanimine oxide is CC(C)/[N+]([O-])=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-propan-2-ylmethanimine oxide?
The InChIKey is PIAZMAPCYYZRRO-GHXNOFRVSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-8(2)12(13)7-9-3-5-10(11)6-4-9/h3-8H,1-2H3/b12-7-.
What are the key properties of 1-(4-chlorophenyl)-N-propan-2-ylmethanimine oxide?
1-(4-chlorophenyl)-N-propan-2-ylmethanimine oxide has a molecular weight of 197.66 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-propan-2-ylmethanimine oxide is sourced from PubChem (CID 10512144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).