2-imino-1-(2-propan-2-yloxyphenyl)ethanone

C11H13NO2 — CID 91538765

IUPAC2-imino-1-(2-propan-2-yloxyphenyl)ethanone
SMILES[H]/N=C/C(=O)c1ccccc1OC(C)C
InChIInChI=1S/C11H13NO2/c1-8(2)14-11-6-4-3-5-9(11)10(13)7-12/h3-8,12H,1-2H3/b12-7+
InChIKeyJIHVZKIENBMUBJ-KPKJPENVSA-N
MW191.23 g/mol
LogP2.31
Rot. Bonds4

About 2-imino-1-(2-propan-2-yloxyphenyl)ethanone

2-imino-1-(2-propan-2-yloxyphenyl)ethanone (PubChem CID 91538765) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-imino-1-(2-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-imino-1-(2-propan-2-yloxyphenyl)ethanone
PubChem CID91538765
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-imino-1-(2-propan-2-yloxyphenyl)ethanone
SMILES[H]/N=C/C(=O)c1ccccc1OC(C)C
InChIInChI=1S/C11H13NO2/c1-8(2)14-11-6-4-3-5-9(11)10(13)7-12/h3-8,12H,1-2H3/b12-7+
InChIKeyJIHVZKIENBMUBJ-KPKJPENVSA-N
XLogP2.31
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2-propan-2-yloxyphenyl)pent-2-en-1-one
CID 103454235
[2-(2-iminoacetyl)phenyl] 2-phenylacetate
CID 91290911
2-propan-2-yloxybenzoyl chloride
CID 15921914
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
ethyl 2-[2-(2-iminoacetyl)phenoxy]acetate
CID 90857354
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone
CID 146008297
4-hydroxy-2-oxo-4-(2-propan-2-yloxyphenyl)but-3-enoic acid
CID 75313132
[4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone
CID 105119950
N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide
CID 100570232
(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone
CID 115788569
2-amino-2-phenyl-1-(2-propan-2-yloxyphenyl)ethanone
CID 116551128

Frequently Asked Questions

What is the IUPAC name of 2-imino-1-(2-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 2-imino-1-(2-propan-2-yloxyphenyl)ethanone (CID 91538765) is 2-imino-1-(2-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 2-imino-1-(2-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 2-imino-1-(2-propan-2-yloxyphenyl)ethanone is [H]/N=C/C(=O)c1ccccc1OC(C)C.
What is the InChIKey of 2-imino-1-(2-propan-2-yloxyphenyl)ethanone?
The InChIKey is JIHVZKIENBMUBJ-KPKJPENVSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8(2)14-11-6-4-3-5-9(11)10(13)7-12/h3-8,12H,1-2H3/b12-7+.
What are the key properties of 2-imino-1-(2-propan-2-yloxyphenyl)ethanone?
2-imino-1-(2-propan-2-yloxyphenyl)ethanone has a molecular weight of 191.23 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-(2-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 91538765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).