2-propan-2-yl-6,6a-dihydrobenzo[h]quinoline

C16H17N — CID 134510249

IUPAC2-propan-2-yl-6,6a-dihydrobenzo[h]quinoline
SMILESCC(C)c1ccc2c(n1)=C1C=CC=CC1CC=2
InChIInChI=1S/C16H17N/c1-11(2)15-10-9-13-8-7-12-5-3-4-6-14(12)16(13)17-15/h3-6,8-12H,7H2,1-2H3
InChIKeyZMYOVFSZEFZWDW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.28
Rot. Bonds1

About 2-propan-2-yl-6,6a-dihydrobenzo[h]quinoline

2-propan-2-yl-6,6a-dihydrobenzo[h]quinoline (PubChem CID 134510249) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-propan-2-yl-6,6a-dihydrobenzo[h]quinoline.

Molecular Properties

Compound Name2-propan-2-yl-6,6a-dihydrobenzo[h]quinoline
PubChem CID134510249
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-propan-2-yl-6,6a-dihydrobenzo[h]quinoline
SMILESCC(C)c1ccc2c(n1)=C1C=CC=CC1CC=2
InChIInChI=1S/C16H17N/c1-11(2)15-10-9-13-8-7-12-5-3-4-6-14(12)16(13)17-15/h3-6,8-12H,7H2,1-2H3
InChIKeyZMYOVFSZEFZWDW-UHFFFAOYSA-N
XLogP2.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6,6a-dihydrobenzo[h]quinoline?
The IUPAC name of 2-propan-2-yl-6,6a-dihydrobenzo[h]quinoline (CID 134510249) is 2-propan-2-yl-6,6a-dihydrobenzo[h]quinoline.
What is the SMILES notation for 2-propan-2-yl-6,6a-dihydrobenzo[h]quinoline?
The canonical SMILES for 2-propan-2-yl-6,6a-dihydrobenzo[h]quinoline is CC(C)c1ccc2c(n1)=C1C=CC=CC1CC=2.
What is the InChIKey of 2-propan-2-yl-6,6a-dihydrobenzo[h]quinoline?
The InChIKey is ZMYOVFSZEFZWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-11(2)15-10-9-13-8-7-12-5-3-4-6-14(12)16(13)17-15/h3-6,8-12H,7H2,1-2H3.
What are the key properties of 2-propan-2-yl-6,6a-dihydrobenzo[h]quinoline?
2-propan-2-yl-6,6a-dihydrobenzo[h]quinoline has a molecular weight of 223.32 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6,6a-dihydrobenzo[h]quinoline is sourced from PubChem (CID 134510249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).