[2-[(E)-prop-1-enyl]quinoxalin-6-yl]methanamine

C12H13N3 — CID 143952993

IUPAC[2-[(E)-prop-1-enyl]quinoxalin-6-yl]methanamine
SMILESC/C=C/c1cnc2cc(CN)ccc2n1
InChIInChI=1S/C12H13N3/c1-2-3-10-8-14-12-6-9(7-13)4-5-11(12)15-10/h2-6,8H,7,13H2,1H3/b3-2+
InChIKeyDWYIVHBNJIERJD-NSCUHMNNSA-N
MW199.26 g/mol
LogP2.12
Rot. Bonds2

About [2-[(E)-prop-1-enyl]quinoxalin-6-yl]methanamine

[2-[(E)-prop-1-enyl]quinoxalin-6-yl]methanamine (PubChem CID 143952993) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is [2-[(E)-prop-1-enyl]quinoxalin-6-yl]methanamine.

Molecular Properties

Compound Name[2-[(E)-prop-1-enyl]quinoxalin-6-yl]methanamine
PubChem CID143952993
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name[2-[(E)-prop-1-enyl]quinoxalin-6-yl]methanamine
SMILESC/C=C/c1cnc2cc(CN)ccc2n1
InChIInChI=1S/C12H13N3/c1-2-3-10-8-14-12-6-9(7-13)4-5-11(12)15-10/h2-6,8H,7,13H2,1H3/b3-2+
InChIKeyDWYIVHBNJIERJD-NSCUHMNNSA-N
XLogP2.12
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-diethylquinoxalin-6-yl)methanamine
CID 82509122
6-(2-aminopropyl)quinoxalin-2-amine
CID 117291052
2-[(E)-4-phenylbut-1-enyl]quinoxaline
CID 134943541
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
1,3-benzoxazol-6-ylmethanamine
CID 55219292
[2-(methylaminomethyl)-3H-benzimidazol-5-yl]methanamine
CID 83949221
(4-methyl-3-quinoxalin-2-yloxyphenyl)methanamine
CID 107657381
6-chloro-3-prop-1-enylquinoline
CID 174515069
[6-(aminomethyl)naphthalen-2-yl]methanamine
CID 67748708
(1-propan-2-yl-2-pyrazin-2-ylbenzimidazol-5-yl)methanamine
CID 65037653
2-ethenylquinoxalin-6-ol
CID 136501444
(2-propan-2-ylbenzotriazol-5-yl)methanamine
CID 84719599

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-prop-1-enyl]quinoxalin-6-yl]methanamine?
The IUPAC name of [2-[(E)-prop-1-enyl]quinoxalin-6-yl]methanamine (CID 143952993) is [2-[(E)-prop-1-enyl]quinoxalin-6-yl]methanamine.
What is the SMILES notation for [2-[(E)-prop-1-enyl]quinoxalin-6-yl]methanamine?
The canonical SMILES for [2-[(E)-prop-1-enyl]quinoxalin-6-yl]methanamine is C/C=C/c1cnc2cc(CN)ccc2n1.
What is the InChIKey of [2-[(E)-prop-1-enyl]quinoxalin-6-yl]methanamine?
The InChIKey is DWYIVHBNJIERJD-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-3-10-8-14-12-6-9(7-13)4-5-11(12)15-10/h2-6,8H,7,13H2,1H3/b3-2+.
What are the key properties of [2-[(E)-prop-1-enyl]quinoxalin-6-yl]methanamine?
[2-[(E)-prop-1-enyl]quinoxalin-6-yl]methanamine has a molecular weight of 199.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-prop-1-enyl]quinoxalin-6-yl]methanamine is sourced from PubChem (CID 143952993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).