propan-2-yl 1H-indole-3-carboximidate

C12H14N2O — CID 174294951

IUPACpropan-2-yl 1H-indole-3-carboximidate
SMILES[H]/N=C(\OC(C)C)c1c[nH]c2ccccc12
InChIInChI=1S/C12H14N2O/c1-8(2)15-12(13)10-7-14-11-6-4-3-5-9(10)11/h3-8,13-14H,1-2H3/b13-12-
InChIKeyMGINNBISFWFKHK-SEYXRHQNSA-N
MW202.26 g/mol
LogP2.92
Rot. Bonds2

About propan-2-yl 1H-indole-3-carboximidate

propan-2-yl 1H-indole-3-carboximidate (PubChem CID 174294951) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is propan-2-yl 1H-indole-3-carboximidate.

Molecular Properties

Compound Namepropan-2-yl 1H-indole-3-carboximidate
PubChem CID174294951
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Namepropan-2-yl 1H-indole-3-carboximidate
SMILES[H]/N=C(\OC(C)C)c1c[nH]c2ccccc12
InChIInChI=1S/C12H14N2O/c1-8(2)15-12(13)10-7-14-11-6-4-3-5-9(10)11/h3-8,13-14H,1-2H3/b13-12-
InChIKeyMGINNBISFWFKHK-SEYXRHQNSA-N
XLogP2.92
TPSA48.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(1H-indol-3-yl)-2-oxoacetyl]oxypropanoate
CID 10492618
3-(3-methylbut-1-en-2-yl)-1H-indole
CID 130016048
propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 139560827
propan-2-yl 4-(1H-indole-3-carbonylamino)benzoate
CID 39964134
[(1R)-1-phenylethyl] 1H-indole-3-carboxylate
CID 8607675
[(1R)-1-cyanoethyl] 1H-indole-3-carboxylate
CID 7889014
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
methyl 2-(1H-indol-3-yl)prop-2-enoate
CID 116843224
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1H-indole-3-carboxylate
CID 8606926
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (E)-pent-2-enoate
CID 8673477
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1H-indole-3-carboximidate?
The IUPAC name of propan-2-yl 1H-indole-3-carboximidate (CID 174294951) is propan-2-yl 1H-indole-3-carboximidate.
What is the SMILES notation for propan-2-yl 1H-indole-3-carboximidate?
The canonical SMILES for propan-2-yl 1H-indole-3-carboximidate is [H]/N=C(\OC(C)C)c1c[nH]c2ccccc12.
What is the InChIKey of propan-2-yl 1H-indole-3-carboximidate?
The InChIKey is MGINNBISFWFKHK-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8(2)15-12(13)10-7-14-11-6-4-3-5-9(10)11/h3-8,13-14H,1-2H3/b13-12-.
What are the key properties of propan-2-yl 1H-indole-3-carboximidate?
propan-2-yl 1H-indole-3-carboximidate has a molecular weight of 202.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1H-indole-3-carboximidate is sourced from PubChem (CID 174294951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).