prop-2-enyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride

C12H14ClNO2 — CID 66972289

IUPACprop-2-enyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride
SMILESC=CCOC(=O)c1ccc2c(c1)NCC2.Cl
InChIInChI=1S/C12H13NO2.ClH/c1-2-7-15-12(14)10-4-3-9-5-6-13-11(9)8-10;/h2-4,8,13H,1,5-7H2;1H
InChIKeyJWYIVRDFMCNDBT-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.42
Rot. Bonds3

About prop-2-enyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride

prop-2-enyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride (PubChem CID 66972289) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is prop-2-enyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride.

Molecular Properties

Compound Nameprop-2-enyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride
PubChem CID66972289
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Nameprop-2-enyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride
SMILESC=CCOC(=O)c1ccc2c(c1)NCC2.Cl
InChIInChI=1S/C12H13NO2.ClH/c1-2-7-15-12(14)10-4-3-9-5-6-13-11(9)8-10;/h2-4,8,13H,1,5-7H2;1H
InChIKeyJWYIVRDFMCNDBT-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate
CID 113382406
prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate
CID 58125258
piperazine-1-carbonyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride
CID 162440782
1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate
CID 103489060
benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate
CID 175510564
prop-2-enyl 4-(4-prop-2-enoxycarbonylbenzoyl)benzoate
CID 118619511
prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate
CID 90322332
1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one
CID 116612061
prop-2-enyl 3-aminobenzoate;hydrochloride
CID 18930598
(3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone
CID 116611865
4-prop-2-enoxycarbonylbenzoic acid
CID 18349855
2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone
CID 116611963

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride?
The IUPAC name of prop-2-enyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride (CID 66972289) is prop-2-enyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride.
What is the SMILES notation for prop-2-enyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride?
The canonical SMILES for prop-2-enyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride is C=CCOC(=O)c1ccc2c(c1)NCC2.Cl.
What is the InChIKey of prop-2-enyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride?
The InChIKey is JWYIVRDFMCNDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2.ClH/c1-2-7-15-12(14)10-4-3-9-5-6-13-11(9)8-10;/h2-4,8,13H,1,5-7H2;1H.
What are the key properties of prop-2-enyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride?
prop-2-enyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride has a molecular weight of 239.70 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride is sourced from PubChem (CID 66972289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).