2-imino-5-propan-2-yloxy-3H-inden-1-one

C12H13NO2 — CID 167483069

IUPAC2-imino-5-propan-2-yloxy-3H-inden-1-one
SMILES[H]/N=C1\Cc2cc(OC(C)C)ccc2C1=O
InChIInChI=1S/C12H13NO2/c1-7(2)15-9-3-4-10-8(5-9)6-11(13)12(10)14/h3-5,7,13H,6H2,1-2H3/b13-11+
InChIKeyCVISMGBSAPVXGW-ACCUITESSA-N
MW203.24 g/mol
LogP2.23
Rot. Bonds2

About 2-imino-5-propan-2-yloxy-3H-inden-1-one

2-imino-5-propan-2-yloxy-3H-inden-1-one (PubChem CID 167483069) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-imino-5-propan-2-yloxy-3H-inden-1-one.

Molecular Properties

Compound Name2-imino-5-propan-2-yloxy-3H-inden-1-one
PubChem CID167483069
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-imino-5-propan-2-yloxy-3H-inden-1-one
SMILES[H]/N=C1\Cc2cc(OC(C)C)ccc2C1=O
InChIInChI=1S/C12H13NO2/c1-7(2)15-9-3-4-10-8(5-9)6-11(13)12(10)14/h3-5,7,13H,6H2,1-2H3/b13-11+
InChIKeyCVISMGBSAPVXGW-ACCUITESSA-N
XLogP2.23
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;2-imino-6-propan-2-yloxy-3H-inden-1-one;molecular hydrogen
CID 167483140
5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene]
CID 20685087
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride
CID 68823048
2-methylidene-5-propan-2-yloxy-1,3-dihydroindole
CID 89252566
6-propan-2-yloxy-1H-indene
CID 175850570
ethene;2-ethyl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline
CID 144821070
4'-methoxy-6-propan-2-yloxyspiro[3H-indene-2,1'-cyclohexane]-1-one
CID 58197828
2-(2-fluoro-4-propan-2-yloxyphenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one
CID 118184870
6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione
CID 146342056
2-(2-hydroxy-6-oxopiperidin-3-yl)-5-propan-2-yloxy-3H-isoindol-1-one
CID 146518003
5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one
CID 104982128

Frequently Asked Questions

What is the IUPAC name of 2-imino-5-propan-2-yloxy-3H-inden-1-one?
The IUPAC name of 2-imino-5-propan-2-yloxy-3H-inden-1-one (CID 167483069) is 2-imino-5-propan-2-yloxy-3H-inden-1-one.
What is the SMILES notation for 2-imino-5-propan-2-yloxy-3H-inden-1-one?
The canonical SMILES for 2-imino-5-propan-2-yloxy-3H-inden-1-one is [H]/N=C1\Cc2cc(OC(C)C)ccc2C1=O.
What is the InChIKey of 2-imino-5-propan-2-yloxy-3H-inden-1-one?
The InChIKey is CVISMGBSAPVXGW-ACCUITESSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7(2)15-9-3-4-10-8(5-9)6-11(13)12(10)14/h3-5,7,13H,6H2,1-2H3/b13-11+.
What are the key properties of 2-imino-5-propan-2-yloxy-3H-inden-1-one?
2-imino-5-propan-2-yloxy-3H-inden-1-one has a molecular weight of 203.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-propan-2-yloxy-3H-inden-1-one is sourced from PubChem (CID 167483069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).