2-methylidene-1-propan-2-yl-5,6,7,8-tetrahydroquinoxaline

C12H18N2 — CID 23594815

IUPAC2-methylidene-1-propan-2-yl-5,6,7,8-tetrahydroquinoxaline
SMILESC=C1C=NC2=C(CCCC2)N1C(C)C
InChIInChI=1S/C12H18N2/c1-9(2)14-10(3)8-13-11-6-4-5-7-12(11)14/h8-9H,3-7H2,1-2H3
InChIKeyRCQSMZYRDVAZMI-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.08
Rot. Bonds1

About 2-methylidene-1-propan-2-yl-5,6,7,8-tetrahydroquinoxaline

2-methylidene-1-propan-2-yl-5,6,7,8-tetrahydroquinoxaline (PubChem CID 23594815) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methylidene-1-propan-2-yl-5,6,7,8-tetrahydroquinoxaline.

Molecular Properties

Compound Name2-methylidene-1-propan-2-yl-5,6,7,8-tetrahydroquinoxaline
PubChem CID23594815
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-methylidene-1-propan-2-yl-5,6,7,8-tetrahydroquinoxaline
SMILESC=C1C=NC2=C(CCCC2)N1C(C)C
InChIInChI=1S/C12H18N2/c1-9(2)14-10(3)8-13-11-6-4-5-7-12(11)14/h8-9H,3-7H2,1-2H3
InChIKeyRCQSMZYRDVAZMI-UHFFFAOYSA-N
XLogP3.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-propan-2-yl-5,6,7,8-tetrahydroquinoxaline?
The IUPAC name of 2-methylidene-1-propan-2-yl-5,6,7,8-tetrahydroquinoxaline (CID 23594815) is 2-methylidene-1-propan-2-yl-5,6,7,8-tetrahydroquinoxaline.
What is the SMILES notation for 2-methylidene-1-propan-2-yl-5,6,7,8-tetrahydroquinoxaline?
The canonical SMILES for 2-methylidene-1-propan-2-yl-5,6,7,8-tetrahydroquinoxaline is C=C1C=NC2=C(CCCC2)N1C(C)C.
What is the InChIKey of 2-methylidene-1-propan-2-yl-5,6,7,8-tetrahydroquinoxaline?
The InChIKey is RCQSMZYRDVAZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9(2)14-10(3)8-13-11-6-4-5-7-12(11)14/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-methylidene-1-propan-2-yl-5,6,7,8-tetrahydroquinoxaline?
2-methylidene-1-propan-2-yl-5,6,7,8-tetrahydroquinoxaline has a molecular weight of 190.29 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-propan-2-yl-5,6,7,8-tetrahydroquinoxaline is sourced from PubChem (CID 23594815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).