4-ethenyl-1,2,2-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-quinolin-4-ol

C14H25NO — CID 23263133

IUPAC4-ethenyl-1,2,2-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-quinolin-4-ol
SMILESC=CC1(O)CC(C)(C)N(C)C2CCCCC21
InChIInChI=1S/C14H25NO/c1-5-14(16)10-13(2,3)15(4)12-9-7-6-8-11(12)14/h5,11-12,16H,1,6-10H2,2-4H3
InChIKeyGGBVNVOBMJAKHB-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds1

About 4-ethenyl-1,2,2-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-quinolin-4-ol

4-ethenyl-1,2,2-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-quinolin-4-ol (PubChem CID 23263133) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-ethenyl-1,2,2-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-quinolin-4-ol.

Molecular Properties

Compound Name4-ethenyl-1,2,2-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-quinolin-4-ol
PubChem CID23263133
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-ethenyl-1,2,2-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-quinolin-4-ol
SMILESC=CC1(O)CC(C)(C)N(C)C2CCCCC21
InChIInChI=1S/C14H25NO/c1-5-14(16)10-13(2,3)15(4)12-9-7-6-8-11(12)14/h5,11-12,16H,1,6-10H2,2-4H3
InChIKeyGGBVNVOBMJAKHB-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethenyl-1,2,2-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-quinolin-4-ol with MolForge

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Related Compounds

(1S,3aS,4R,5R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ol
CID 163084315
2-[(E)-but-2-en-2-yl]-1-ethenylcyclohexan-1-ol
CID 134858730
cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol
CID 14219057
6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
CID 140839402
(1S,2R,3R)-3-ethenyl-3-methylcyclohexane-1,2-diol
CID 155705531
2'-hydroxy-1,2,2'-trimethylspiro[2,3,4a,5,6,7,8,8a-octahydroquinoline-4,5'-oxolane]-3'-one
CID 536672
(1S,6R)-7-(dimethylamino)bicyclo[4.1.0]heptan-7-ol
CID 11344136
4-ethyl-1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 597809
5,10-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenazine
CID 58400586
2-ethenyl-2,6-dimethylcyclohexan-1-one
CID 12870171
trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol
CID 10702229
1-ethenyl-1,2,3-trimethyl-5-propan-2-ylidenecyclopentane
CID 90943443

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1,2,2-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-quinolin-4-ol?
The IUPAC name of 4-ethenyl-1,2,2-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-quinolin-4-ol (CID 23263133) is 4-ethenyl-1,2,2-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-quinolin-4-ol.
What is the SMILES notation for 4-ethenyl-1,2,2-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-quinolin-4-ol?
The canonical SMILES for 4-ethenyl-1,2,2-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-quinolin-4-ol is C=CC1(O)CC(C)(C)N(C)C2CCCCC21.
What is the InChIKey of 4-ethenyl-1,2,2-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-quinolin-4-ol?
The InChIKey is GGBVNVOBMJAKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-14(16)10-13(2,3)15(4)12-9-7-6-8-11(12)14/h5,11-12,16H,1,6-10H2,2-4H3.
What are the key properties of 4-ethenyl-1,2,2-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-quinolin-4-ol?
4-ethenyl-1,2,2-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-quinolin-4-ol has a molecular weight of 223.36 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,2,2-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-quinolin-4-ol is sourced from PubChem (CID 23263133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).