(2S,3S)-2,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroquinoxaline

C14H18N2 — CID 743025

IUPAC(2S,3S)-2,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroquinoxaline
SMILESC=CC[C@@H]1Nc2ccccc2N[C@H]1CC=C
InChIInChI=1S/C14H18N2/c1-3-7-11-12(8-4-2)16-14-10-6-5-9-13(14)15-11/h3-6,9-12,15-16H,1-2,7-8H2/t11-,12-/m0/s1
InChIKeyMLKXLUABNFQTNB-RYUDHWBXSA-N
MW214.31 g/mol
LogP3.41
Rot. Bonds4

About (2S,3S)-2,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroquinoxaline

(2S,3S)-2,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroquinoxaline (PubChem CID 743025) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S,3S)-2,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name(2S,3S)-2,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroquinoxaline
PubChem CID743025
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name(2S,3S)-2,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroquinoxaline
SMILESC=CC[C@@H]1Nc2ccccc2N[C@H]1CC=C
InChIInChI=1S/C14H18N2/c1-3-7-11-12(8-4-2)16-14-10-6-5-9-13(14)15-11/h3-6,9-12,15-16H,1-2,7-8H2/t11-,12-/m0/s1
InChIKeyMLKXLUABNFQTNB-RYUDHWBXSA-N
XLogP3.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Phenylpiperazine
CID 7096
N-Isopropylaniline
CID 13032
N,N'-Di-sec-butyl-p-phenylenediamine
CID 7589
2,3-Quinoxalinedithiol
CID 2735127
1-(2-Fluorophenyl)piperazine
CID 70529
N,N'-Diphenylethylenediamine
CID 67422
1-(3-Fluorophenyl)piperazine
CID 77418
N-Phenyl-o-phenylenediamine
CID 68297
N-(2-(Dimethylamino)ethyl)aniline
CID 81206
1,2-Ethanediamine, N1-phenyl-
CID 74270
N-Cyclohexylaniline
CID 74567
1-(4-Fluorophenyl)piperazine
CID 75260

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of (2S,3S)-2,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroquinoxaline (CID 743025) is (2S,3S)-2,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for (2S,3S)-2,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for (2S,3S)-2,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroquinoxaline is C=CC[C@@H]1Nc2ccccc2N[C@H]1CC=C.
What is the InChIKey of (2S,3S)-2,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is MLKXLUABNFQTNB-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-7-11-12(8-4-2)16-14-10-6-5-9-13(14)15-11/h3-6,9-12,15-16H,1-2,7-8H2/t11-,12-/m0/s1.
What are the key properties of (2S,3S)-2,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroquinoxaline?
(2S,3S)-2,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 214.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 743025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).