[(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium

C14H17N2O2+ — CID 7006688

IUPAC[(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium
SMILESC=CCOC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O2/c1-2-7-18-14(17)12(15)8-10-9-16-13-6-4-3-5-11(10)13/h2-6,9,12,16H,1,7-8,15H2/p+1/t12-/m1/s1
InChIKeySCHTYFMQEMJOJF-GFCCVEGCSA-O
MW245.30 g/mol
LogP1.05
Rot. Bonds5

About [(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium

[(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium (PubChem CID 7006688) has the molecular formula C14H17N2O2+ and a molecular weight of 245.30 g/mol. Its IUPAC name is [(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium
PubChem CID7006688
Molecular FormulaC14H17N2O2+
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name[(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium
SMILESC=CCOC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O2/c1-2-7-18-14(17)12(15)8-10-9-16-13-6-4-3-5-11(10)13/h2-6,9,12,16H,1,7-8,15H2/p+1/t12-/m1/s1
InChIKeySCHTYFMQEMJOJF-GFCCVEGCSA-O
XLogP1.05
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium chloride
CID 2737346
prop-2-enyl 2-(1H-indol-3-yl)acetate
CID 14701449
[(2S)-3-(1H-indol-3-yl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium chloride
CID 10980445
[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium
CID 5460842
prop-2-enyl (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11210113
prop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate
CID 15093890
CID 70188356
CID 70188356
[(2R)-3-(1H-indol-3-yl)-1-[[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]azanium
CID 7031913
methyl (2S)-2-[bis(prop-2-enyl)amino]-3-(1H-indol-3-yl)propanoate
CID 102183904
[(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride
CID 10516015
prop-2-enyl N-[(2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 140937778
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium?
The IUPAC name of [(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium (CID 7006688) is [(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium.
What is the SMILES notation for [(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium?
The canonical SMILES for [(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium is C=CCOC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12.
What is the InChIKey of [(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium?
The InChIKey is SCHTYFMQEMJOJF-GFCCVEGCSA-O. The full InChI is InChI=1S/C14H16N2O2/c1-2-7-18-14(17)12(15)8-10-9-16-13-6-4-3-5-11(10)13/h2-6,9,12,16H,1,7-8,15H2/p+1/t12-/m1/s1.
What are the key properties of [(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium?
[(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium has a molecular weight of 245.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium is sourced from PubChem (CID 7006688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).