8-prop-1-en-2-yl-4a,8a-dihydroquinoline

C12H13N — CID 129171817

IUPAC8-prop-1-en-2-yl-4a,8a-dihydroquinoline
SMILESC=C(C)C1=CC=CC2C=CC=NC12
InChIInChI=1S/C12H13N/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11/h3-8,10,12H,1H2,2H3
InChIKeyWEWKBLXTDGSHLG-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.68
Rot. Bonds1

About 8-prop-1-en-2-yl-4a,8a-dihydroquinoline

8-prop-1-en-2-yl-4a,8a-dihydroquinoline (PubChem CID 129171817) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 8-prop-1-en-2-yl-4a,8a-dihydroquinoline.

Molecular Properties

Compound Name8-prop-1-en-2-yl-4a,8a-dihydroquinoline
PubChem CID129171817
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name8-prop-1-en-2-yl-4a,8a-dihydroquinoline
SMILESC=C(C)C1=CC=CC2C=CC=NC12
InChIInChI=1S/C12H13N/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11/h3-8,10,12H,1H2,2H3
InChIKeyWEWKBLXTDGSHLG-UHFFFAOYSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-prop-1-en-2-yl-4a,8a-dihydroquinoline?
The IUPAC name of 8-prop-1-en-2-yl-4a,8a-dihydroquinoline (CID 129171817) is 8-prop-1-en-2-yl-4a,8a-dihydroquinoline.
What is the SMILES notation for 8-prop-1-en-2-yl-4a,8a-dihydroquinoline?
The canonical SMILES for 8-prop-1-en-2-yl-4a,8a-dihydroquinoline is C=C(C)C1=CC=CC2C=CC=NC12.
What is the InChIKey of 8-prop-1-en-2-yl-4a,8a-dihydroquinoline?
The InChIKey is WEWKBLXTDGSHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11/h3-8,10,12H,1H2,2H3.
What are the key properties of 8-prop-1-en-2-yl-4a,8a-dihydroquinoline?
8-prop-1-en-2-yl-4a,8a-dihydroquinoline has a molecular weight of 171.24 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-1-en-2-yl-4a,8a-dihydroquinoline is sourced from PubChem (CID 129171817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).