1-propyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol

C12H21NO — CID 70556447

IUPAC1-propyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol
SMILESCCCN1CCCC2CC(O)CC=C21
InChIInChI=1S/C12H21NO/c1-2-7-13-8-3-4-10-9-11(14)5-6-12(10)13/h6,10-11,14H,2-5,7-9H2,1H3
InChIKeyPGURRTSMBNIWMG-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.15
Rot. Bonds2

About 1-propyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol

1-propyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol (PubChem CID 70556447) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-propyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol.

Molecular Properties

Compound Name1-propyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol
PubChem CID70556447
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-propyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol
SMILESCCCN1CCCC2CC(O)CC=C21
InChIInChI=1S/C12H21NO/c1-2-7-13-8-3-4-10-9-11(14)5-6-12(10)13/h6,10-11,14H,2-5,7-9H2,1H3
InChIKeyPGURRTSMBNIWMG-UHFFFAOYSA-N
XLogP2.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol?
The IUPAC name of 1-propyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol (CID 70556447) is 1-propyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol.
What is the SMILES notation for 1-propyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol?
The canonical SMILES for 1-propyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol is CCCN1CCCC2CC(O)CC=C21.
What is the InChIKey of 1-propyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol?
The InChIKey is PGURRTSMBNIWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-7-13-8-3-4-10-9-11(14)5-6-12(10)13/h6,10-11,14H,2-5,7-9H2,1H3.
What are the key properties of 1-propyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol?
1-propyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol has a molecular weight of 195.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol is sourced from PubChem (CID 70556447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).