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

C12H19NO — CID 70454319

IUPAC1-prop-2-enyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol
SMILESC=CCN1CCCC2CC(O)CC=C21
InChIInChI=1S/C12H19NO/c1-2-7-13-8-3-4-10-9-11(14)5-6-12(10)13/h2,6,10-11,14H,1,3-5,7-9H2
InChIKeyZRWMAMIOXLSGRJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.92
Rot. Bonds2

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

1-prop-2-enyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol (PubChem CID 70454319) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-prop-2-enyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol.

Molecular Properties

Compound Name1-prop-2-enyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol
PubChem CID70454319
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-prop-2-enyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol
SMILESC=CCN1CCCC2CC(O)CC=C21
InChIInChI=1S/C12H19NO/c1-2-7-13-8-3-4-10-9-11(14)5-6-12(10)13/h2,6,10-11,14H,1,3-5,7-9H2
InChIKeyZRWMAMIOXLSGRJ-UHFFFAOYSA-N
XLogP1.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol?
The IUPAC name of 1-prop-2-enyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol (CID 70454319) is 1-prop-2-enyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol.
What is the SMILES notation for 1-prop-2-enyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol?
The canonical SMILES for 1-prop-2-enyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol is C=CCN1CCCC2CC(O)CC=C21.
What is the InChIKey of 1-prop-2-enyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol?
The InChIKey is ZRWMAMIOXLSGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-7-13-8-3-4-10-9-11(14)5-6-12(10)13/h2,6,10-11,14H,1,3-5,7-9H2.
What are the key properties of 1-prop-2-enyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol?
1-prop-2-enyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol has a molecular weight of 193.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol is sourced from PubChem (CID 70454319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).