(2S,4R)-2-methyl-4-[(E)-prop-1-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol

C13H23NO — CID 12883327

IUPAC(2S,4R)-2-methyl-4-[(E)-prop-1-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol
SMILESC/C=C/[C@]1(O)C[C@H](C)NC2CCCCC21
InChIInChI=1S/C13H23NO/c1-3-8-13(15)9-10(2)14-12-7-5-4-6-11(12)13/h3,8,10-12,14-15H,4-7,9H2,1-2H3/b8-3+/t10-,11?,12?,13-/m0/s1
InChIKeyGTDNFZNKNRVCHZ-XZRXHFPVSA-N
MW209.33 g/mol
LogP2.23
Rot. Bonds1

About (2S,4R)-2-methyl-4-[(E)-prop-1-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol

(2S,4R)-2-methyl-4-[(E)-prop-1-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol (PubChem CID 12883327) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2S,4R)-2-methyl-4-[(E)-prop-1-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol.

Molecular Properties

Compound Name(2S,4R)-2-methyl-4-[(E)-prop-1-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol
PubChem CID12883327
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2S,4R)-2-methyl-4-[(E)-prop-1-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol
SMILESC/C=C/[C@]1(O)C[C@H](C)NC2CCCCC21
InChIInChI=1S/C13H23NO/c1-3-8-13(15)9-10(2)14-12-7-5-4-6-11(12)13/h3,8,10-12,14-15H,4-7,9H2,1-2H3/b8-3+/t10-,11?,12?,13-/m0/s1
InChIKeyGTDNFZNKNRVCHZ-XZRXHFPVSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,4R)-2-methyl-4-[(E)-prop-1-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

4-Quinolinol, 4-ethenyldecahydro-1,2-dimethyl-, (2alpha,4beta,4aalpha,8abeta)-
CID 140688
1-Ethyl-2-methyl-4-vinyldecahydro-4-quinolinol
CID 142276
2-Methyl-4-vinyldecahydro-4-quinolol
CID 12256361
4-Vinyl-4-hydroxydecahydroquinoline
CID 129779224
4-Vinyl-trans-decahydroquinol-4-ol
CID 129791476
1,2,3,4,4a,5,9,9a,10,10a-Decahydroacridin-9-ol
CID 153843915
(2R,4S,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-1-ium-4-ol
CID 7319648
(2S,4S,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-1-ium-4-ol
CID 7319650
(2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-1-ium-4-ol
CID 7319652
(2S,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-1-ium-4-ol
CID 7319654
(2R,4R,4aR,8aR)-4-ethenyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 12256339
(2S,4S,4aR,8aR)-4-ethenyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 12256340

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-methyl-4-[(E)-prop-1-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol?
The IUPAC name of (2S,4R)-2-methyl-4-[(E)-prop-1-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol (CID 12883327) is (2S,4R)-2-methyl-4-[(E)-prop-1-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol.
What is the SMILES notation for (2S,4R)-2-methyl-4-[(E)-prop-1-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol?
The canonical SMILES for (2S,4R)-2-methyl-4-[(E)-prop-1-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol is C/C=C/[C@]1(O)C[C@H](C)NC2CCCCC21.
What is the InChIKey of (2S,4R)-2-methyl-4-[(E)-prop-1-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol?
The InChIKey is GTDNFZNKNRVCHZ-XZRXHFPVSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-8-13(15)9-10(2)14-12-7-5-4-6-11(12)13/h3,8,10-12,14-15H,4-7,9H2,1-2H3/b8-3+/t10-,11?,12?,13-/m0/s1.
What are the key properties of (2S,4R)-2-methyl-4-[(E)-prop-1-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol?
(2S,4R)-2-methyl-4-[(E)-prop-1-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol has a molecular weight of 209.33 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-methyl-4-[(E)-prop-1-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol is sourced from PubChem (CID 12883327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).