1,4-bis(prop-2-enyl)-2,3,4a,5-tetrahydroquinoxaline

C14H20N2 — CID 142305779

IUPAC1,4-bis(prop-2-enyl)-2,3,4a,5-tetrahydroquinoxaline
SMILESC=CCN1CCN(CC=C)C2CC=CC=C21
InChIInChI=1S/C14H20N2/c1-3-9-15-11-12-16(10-4-2)14-8-6-5-7-13(14)15/h3-7,14H,1-2,8-12H2
InChIKeyQNFNMBOQYOODGL-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.19
Rot. Bonds4

About 1,4-bis(prop-2-enyl)-2,3,4a,5-tetrahydroquinoxaline

1,4-bis(prop-2-enyl)-2,3,4a,5-tetrahydroquinoxaline (PubChem CID 142305779) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1,4-bis(prop-2-enyl)-2,3,4a,5-tetrahydroquinoxaline.

Molecular Properties

Compound Name1,4-bis(prop-2-enyl)-2,3,4a,5-tetrahydroquinoxaline
PubChem CID142305779
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1,4-bis(prop-2-enyl)-2,3,4a,5-tetrahydroquinoxaline
SMILESC=CCN1CCN(CC=C)C2CC=CC=C21
InChIInChI=1S/C14H20N2/c1-3-9-15-11-12-16(10-4-2)14-8-6-5-7-13(14)15/h3-7,14H,1-2,8-12H2
InChIKeyQNFNMBOQYOODGL-UHFFFAOYSA-N
XLogP2.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydro 2h quinolizin
CID 67020367
Hexahydroquinoxaline
CID 69378669
N-methyltetrahydroquinoxaline
CID 129794484
1-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 129260203
1-(2-Fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 141158726
(2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
CID 144662385
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethylpiperazine
CID 144662412
4-(4,4-Difluorocyclohexa-1,5-dien-1-yl)-1,2-dimethylpiperazine
CID 150487981
1-butyl-4-[(3E,6Z)-7-fluorohepta-1,3,6-trien-3-yl]piperazine
CID 173942774
1-Cyclohexa-1,5-dien-1-yl-4-(2-fluoroethyl)piperazine
CID 175756672
1-(Cyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 15665733
1,4-Dimethyl-tetrahydroquinoxaline
CID 129781915

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(prop-2-enyl)-2,3,4a,5-tetrahydroquinoxaline?
The IUPAC name of 1,4-bis(prop-2-enyl)-2,3,4a,5-tetrahydroquinoxaline (CID 142305779) is 1,4-bis(prop-2-enyl)-2,3,4a,5-tetrahydroquinoxaline.
What is the SMILES notation for 1,4-bis(prop-2-enyl)-2,3,4a,5-tetrahydroquinoxaline?
The canonical SMILES for 1,4-bis(prop-2-enyl)-2,3,4a,5-tetrahydroquinoxaline is C=CCN1CCN(CC=C)C2CC=CC=C21.
What is the InChIKey of 1,4-bis(prop-2-enyl)-2,3,4a,5-tetrahydroquinoxaline?
The InChIKey is QNFNMBOQYOODGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-9-15-11-12-16(10-4-2)14-8-6-5-7-13(14)15/h3-7,14H,1-2,8-12H2.
What are the key properties of 1,4-bis(prop-2-enyl)-2,3,4a,5-tetrahydroquinoxaline?
1,4-bis(prop-2-enyl)-2,3,4a,5-tetrahydroquinoxaline has a molecular weight of 216.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(prop-2-enyl)-2,3,4a,5-tetrahydroquinoxaline is sourced from PubChem (CID 142305779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).