5-propan-2-yl-4,4a-dihydroquinoline

C12H15N — CID 167037923

IUPAC5-propan-2-yl-4,4a-dihydroquinoline
SMILESCC(C)C1=CC=CC2=NC=CCC12
InChIInChI=1S/C12H15N/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12/h3-5,7-9,11H,6H2,1-2H3
InChIKeyLRQKSUDOHUGFJN-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.11
Rot. Bonds1

About 5-propan-2-yl-4,4a-dihydroquinoline

5-propan-2-yl-4,4a-dihydroquinoline (PubChem CID 167037923) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-propan-2-yl-4,4a-dihydroquinoline.

Molecular Properties

Compound Name5-propan-2-yl-4,4a-dihydroquinoline
PubChem CID167037923
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name5-propan-2-yl-4,4a-dihydroquinoline
SMILESCC(C)C1=CC=CC2=NC=CCC12
InChIInChI=1S/C12H15N/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12/h3-5,7-9,11H,6H2,1-2H3
InChIKeyLRQKSUDOHUGFJN-UHFFFAOYSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4,4a-dihydroquinoline?
The IUPAC name of 5-propan-2-yl-4,4a-dihydroquinoline (CID 167037923) is 5-propan-2-yl-4,4a-dihydroquinoline.
What is the SMILES notation for 5-propan-2-yl-4,4a-dihydroquinoline?
The canonical SMILES for 5-propan-2-yl-4,4a-dihydroquinoline is CC(C)C1=CC=CC2=NC=CCC12.
What is the InChIKey of 5-propan-2-yl-4,4a-dihydroquinoline?
The InChIKey is LRQKSUDOHUGFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12/h3-5,7-9,11H,6H2,1-2H3.
What are the key properties of 5-propan-2-yl-4,4a-dihydroquinoline?
5-propan-2-yl-4,4a-dihydroquinoline has a molecular weight of 173.26 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4,4a-dihydroquinoline is sourced from PubChem (CID 167037923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).