2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile

C11H12N2O — CID 114337618

IUPAC2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile
SMILESN#CCN1CCC(O)c2ccccc21
InChIInChI=1S/C11H12N2O/c12-6-8-13-7-5-11(14)9-3-1-2-4-10(9)13/h1-4,11,14H,5,7-8H2
InChIKeyODZADCVRIBIEER-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.45
Rot. Bonds1

About 2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile

2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile (PubChem CID 114337618) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile
PubChem CID114337618
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile
SMILESN#CCN1CCC(O)c2ccccc21
InChIInChI=1S/C11H12N2O/c12-6-8-13-7-5-11(14)9-3-1-2-4-10(9)13/h1-4,11,14H,5,7-8H2
InChIKeyODZADCVRIBIEER-UHFFFAOYSA-N
XLogP1.45
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile
CID 114337888
1-benzyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337756
1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337617
1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337638
4-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile
CID 114337657
1-[3-(dimethylamino)propyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114526948
1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337590
1-pent-4-enyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337665
1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 106460180
2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone
CID 114337628
1-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337768
1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337680

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile?
The IUPAC name of 2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile (CID 114337618) is 2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile?
The canonical SMILES for 2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile is N#CCN1CCC(O)c2ccccc21.
What is the InChIKey of 2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile?
The InChIKey is ODZADCVRIBIEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-6-8-13-7-5-11(14)9-3-1-2-4-10(9)13/h1-4,11,14H,5,7-8H2.
What are the key properties of 2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile?
2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile is sourced from PubChem (CID 114337618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).