3-(1-aminoethenyl)-6,7-dihydroquinolin-2-amine

C11H13N3 — CID 130421119

IUPAC3-(1-aminoethenyl)-6,7-dihydroquinolin-2-amine
SMILESC=C(N)c1cc2c(nc1N)=CCCC=2
InChIInChI=1S/C11H13N3/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13/h4-6H,1-3,12H2,(H2,13,14)
InChIKeyFFIGMXVVDVBXQN-UHFFFAOYSA-N
MW187.25 g/mol
LogP-0.05
Rot. Bonds1

About 3-(1-aminoethenyl)-6,7-dihydroquinolin-2-amine

3-(1-aminoethenyl)-6,7-dihydroquinolin-2-amine (PubChem CID 130421119) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 3-(1-aminoethenyl)-6,7-dihydroquinolin-2-amine.

Molecular Properties

Compound Name3-(1-aminoethenyl)-6,7-dihydroquinolin-2-amine
PubChem CID130421119
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name3-(1-aminoethenyl)-6,7-dihydroquinolin-2-amine
SMILESC=C(N)c1cc2c(nc1N)=CCCC=2
InChIInChI=1S/C11H13N3/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13/h4-6H,1-3,12H2,(H2,13,14)
InChIKeyFFIGMXVVDVBXQN-UHFFFAOYSA-N
XLogP-0.05
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethenyl)-6,7-dihydroquinolin-2-amine?
The IUPAC name of 3-(1-aminoethenyl)-6,7-dihydroquinolin-2-amine (CID 130421119) is 3-(1-aminoethenyl)-6,7-dihydroquinolin-2-amine.
What is the SMILES notation for 3-(1-aminoethenyl)-6,7-dihydroquinolin-2-amine?
The canonical SMILES for 3-(1-aminoethenyl)-6,7-dihydroquinolin-2-amine is C=C(N)c1cc2c(nc1N)=CCCC=2.
What is the InChIKey of 3-(1-aminoethenyl)-6,7-dihydroquinolin-2-amine?
The InChIKey is FFIGMXVVDVBXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13/h4-6H,1-3,12H2,(H2,13,14).
What are the key properties of 3-(1-aminoethenyl)-6,7-dihydroquinolin-2-amine?
3-(1-aminoethenyl)-6,7-dihydroquinolin-2-amine has a molecular weight of 187.25 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethenyl)-6,7-dihydroquinolin-2-amine is sourced from PubChem (CID 130421119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).