3-methyl-2-methylidene-1-prop-2-enyl-5,6,7,8-tetrahydroquinoxaline

C13H18N2 — CID 142527752

IUPAC3-methyl-2-methylidene-1-prop-2-enyl-5,6,7,8-tetrahydroquinoxaline
SMILESC=CCN1C(=C)C(C)=NC2=C1CCCC2
InChIInChI=1S/C13H18N2/c1-4-9-15-11(3)10(2)14-12-7-5-6-8-13(12)15/h4H,1,3,5-9H2,2H3
InChIKeyXVYUOOMAFRSFEW-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.25
Rot. Bonds2

About 3-methyl-2-methylidene-1-prop-2-enyl-5,6,7,8-tetrahydroquinoxaline

3-methyl-2-methylidene-1-prop-2-enyl-5,6,7,8-tetrahydroquinoxaline (PubChem CID 142527752) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-methyl-2-methylidene-1-prop-2-enyl-5,6,7,8-tetrahydroquinoxaline.

Molecular Properties

Compound Name3-methyl-2-methylidene-1-prop-2-enyl-5,6,7,8-tetrahydroquinoxaline
PubChem CID142527752
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-methyl-2-methylidene-1-prop-2-enyl-5,6,7,8-tetrahydroquinoxaline
SMILESC=CCN1C(=C)C(C)=NC2=C1CCCC2
InChIInChI=1S/C13H18N2/c1-4-9-15-11(3)10(2)14-12-7-5-6-8-13(12)15/h4H,1,3,5-9H2,2H3
InChIKeyXVYUOOMAFRSFEW-UHFFFAOYSA-N
XLogP3.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.25
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

N-propan-2-yl-3,4-dihydroquinolizin-2-imine
CID 145918539
2-Methylidene-1-propan-2-yl-5,6,7,8-tetrahydroquinoxaline
CID 23594815
N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-N-methylcyclohexanamine
CID 54475550
N,N,7-trimethyl-8-methylimino-4,9-dihydroquinolizin-1-amine
CID 90851840
N,N-dimethyl-8-methylimino-4,9-dihydroquinolizin-1-amine
CID 91094632
6-methyl-1-(6-methyl-2,3-dihydropyridin-5-yl)-2H-pyridine
CID 123200056
4,4-dimethyl-5,6-dihydro-4aH-quinoxalin-4-ium
CID 123957904
5-methyl-6-methylidene-2-[(3E)-penta-1,3-dien-3-yl]-2,3-dihydro-1,5-naphthyridine
CID 130443356
(3E)-2-ethyl-3-ethylidene-N-methyl-N-propyl-4H-pyridin-4-amine
CID 132195135
6-methyl-1-propan-2-yl-3,4,6,7-tetrahydro-2H-1,5-naphthyridine
CID 134253863
(Z)-5-ethenylimino-N-ethyl-N-methyloct-6-en-1-amine
CID 134386167
1-propan-2-yl-3,4,6,7-tetrahydro-2H-1,5-naphthyridine
CID 156119645

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-1-prop-2-enyl-5,6,7,8-tetrahydroquinoxaline?
The IUPAC name of 3-methyl-2-methylidene-1-prop-2-enyl-5,6,7,8-tetrahydroquinoxaline (CID 142527752) is 3-methyl-2-methylidene-1-prop-2-enyl-5,6,7,8-tetrahydroquinoxaline.
What is the SMILES notation for 3-methyl-2-methylidene-1-prop-2-enyl-5,6,7,8-tetrahydroquinoxaline?
The canonical SMILES for 3-methyl-2-methylidene-1-prop-2-enyl-5,6,7,8-tetrahydroquinoxaline is C=CCN1C(=C)C(C)=NC2=C1CCCC2.
What is the InChIKey of 3-methyl-2-methylidene-1-prop-2-enyl-5,6,7,8-tetrahydroquinoxaline?
The InChIKey is XVYUOOMAFRSFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-9-15-11(3)10(2)14-12-7-5-6-8-13(12)15/h4H,1,3,5-9H2,2H3.
What are the key properties of 3-methyl-2-methylidene-1-prop-2-enyl-5,6,7,8-tetrahydroquinoxaline?
3-methyl-2-methylidene-1-prop-2-enyl-5,6,7,8-tetrahydroquinoxaline has a molecular weight of 202.30 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-1-prop-2-enyl-5,6,7,8-tetrahydroquinoxaline is sourced from PubChem (CID 142527752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).