2-[(E)-3-(2-chlorophenyl)prop-2-enyl]-1,3-dihydroisoindole;hydrochloride

C17H17Cl2N — CID 22770534

IUPAC2-[(E)-3-(2-chlorophenyl)prop-2-enyl]-1,3-dihydroisoindole;hydrochloride
SMILESCl.Clc1ccccc1/C=C/CN1Cc2ccccc2C1
InChIInChI=1S/C17H16ClN.ClH/c18-17-10-4-3-6-14(17)9-5-11-19-12-15-7-1-2-8-16(15)13-19;/h1-10H,11-13H2;1H/b9-5+;
InChIKeyMUYYJMSXTZTGMQ-SZKNIZGXSA-N
MW306.24 g/mol
LogP4.79
Rot. Bonds3

About 2-[(E)-3-(2-chlorophenyl)prop-2-enyl]-1,3-dihydroisoindole;hydrochloride

2-[(E)-3-(2-chlorophenyl)prop-2-enyl]-1,3-dihydroisoindole;hydrochloride (PubChem CID 22770534) has the molecular formula C17H17Cl2N and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-[(E)-3-(2-chlorophenyl)prop-2-enyl]-1,3-dihydroisoindole;hydrochloride.

Molecular Properties

Compound Name2-[(E)-3-(2-chlorophenyl)prop-2-enyl]-1,3-dihydroisoindole;hydrochloride
PubChem CID22770534
Molecular FormulaC17H17Cl2N
Molecular Weight306.24 g/mol
Exact Mass305.07
IUPAC Name2-[(E)-3-(2-chlorophenyl)prop-2-enyl]-1,3-dihydroisoindole;hydrochloride
SMILESCl.Clc1ccccc1/C=C/CN1Cc2ccccc2C1
InChIInChI=1S/C17H16ClN.ClH/c18-17-10-4-3-6-14(17)9-5-11-19-12-15-7-1-2-8-16(15)13-19;/h1-10H,11-13H2;1H/b9-5+;
InChIKeyMUYYJMSXTZTGMQ-SZKNIZGXSA-N
XLogP4.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(E)-but-2-enyl]-1,3-dihydroisoindole
CID 131234693
2-(3-piperidin-1-ylprop-1-enyl)phenol
CID 150024311
(Z)-but-2-enedioic acid;2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dihydroisoindole
CID 70616396
(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine
CID 54775827
3-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]phenol
CID 22770542
(2R,3R,4R,5S)-1-[(E)-3-(2-chlorophenyl)prop-2-enyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 12767034
2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline
CID 4021995
1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene
CID 59205815
2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol
CID 14070346
1-chloro-2-[(E)-3-dimethylphosphorylprop-1-enyl]benzene
CID 59068903
2-(2-chlorophenyl)ethenamine
CID 154223845
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(2-chlorophenyl)prop-2-enyl]-1,3-dihydroisoindole;hydrochloride?
The IUPAC name of 2-[(E)-3-(2-chlorophenyl)prop-2-enyl]-1,3-dihydroisoindole;hydrochloride (CID 22770534) is 2-[(E)-3-(2-chlorophenyl)prop-2-enyl]-1,3-dihydroisoindole;hydrochloride.
What is the SMILES notation for 2-[(E)-3-(2-chlorophenyl)prop-2-enyl]-1,3-dihydroisoindole;hydrochloride?
The canonical SMILES for 2-[(E)-3-(2-chlorophenyl)prop-2-enyl]-1,3-dihydroisoindole;hydrochloride is Cl.Clc1ccccc1/C=C/CN1Cc2ccccc2C1.
What is the InChIKey of 2-[(E)-3-(2-chlorophenyl)prop-2-enyl]-1,3-dihydroisoindole;hydrochloride?
The InChIKey is MUYYJMSXTZTGMQ-SZKNIZGXSA-N. The full InChI is InChI=1S/C17H16ClN.ClH/c18-17-10-4-3-6-14(17)9-5-11-19-12-15-7-1-2-8-16(15)13-19;/h1-10H,11-13H2;1H/b9-5+;.
What are the key properties of 2-[(E)-3-(2-chlorophenyl)prop-2-enyl]-1,3-dihydroisoindole;hydrochloride?
2-[(E)-3-(2-chlorophenyl)prop-2-enyl]-1,3-dihydroisoindole;hydrochloride has a molecular weight of 306.24 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(2-chlorophenyl)prop-2-enyl]-1,3-dihydroisoindole;hydrochloride is sourced from PubChem (CID 22770534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).