(3S)-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinolin-3-ol

C13H17NO — CID 129479772

IUPAC(3S)-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinolin-3-ol
SMILESC=C(C)CN1C[C@@H](O)Cc2ccccc21
InChIInChI=1S/C13H17NO/c1-10(2)8-14-9-12(15)7-11-5-3-4-6-13(11)14/h3-6,12,15H,1,7-9H2,2H3/t12-/m0/s1
InChIKeyDYXYETXTDRBOQF-LBPRGKRZSA-N
MW203.28 g/mol
LogP1.99
Rot. Bonds2

About (3S)-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinolin-3-ol

(3S)-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinolin-3-ol (PubChem CID 129479772) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (3S)-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinolin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinolin-3-ol
PubChem CID129479772
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(3S)-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinolin-3-ol
SMILESC=C(C)CN1C[C@@H](O)Cc2ccccc21
InChIInChI=1S/C13H17NO/c1-10(2)8-14-9-12(15)7-11-5-3-4-6-13(11)14/h3-6,12,15H,1,7-9H2,2H3/t12-/m0/s1
InChIKeyDYXYETXTDRBOQF-LBPRGKRZSA-N
XLogP1.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.99
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 (3S)-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinolin-3-ol?
The IUPAC name of (3S)-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinolin-3-ol (CID 129479772) is (3S)-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinolin-3-ol.
What is the SMILES notation for (3S)-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinolin-3-ol?
The canonical SMILES for (3S)-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinolin-3-ol is C=C(C)CN1C[C@@H](O)Cc2ccccc21.
What is the InChIKey of (3S)-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinolin-3-ol?
The InChIKey is DYXYETXTDRBOQF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(2)8-14-9-12(15)7-11-5-3-4-6-13(11)14/h3-6,12,15H,1,7-9H2,2H3/t12-/m0/s1.
What are the key properties of (3S)-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinolin-3-ol?
(3S)-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinolin-3-ol has a molecular weight of 203.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinolin-3-ol is sourced from PubChem (CID 129479772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).