2-[1-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile

C15H18N2O — CID 114337888

IUPAC2-[1-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CN2CCC(O)c3ccccc32)CC1
InChIInChI=1S/C15H18N2O/c16-9-8-15(6-7-15)11-17-10-5-14(18)12-3-1-2-4-13(12)17/h1-4,14,18H,5-8,10-11H2
InChIKeyJHPDNVYGCOEILK-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.62
Rot. Bonds3

About 2-[1-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 114337888) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[1-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile
PubChem CID114337888
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[1-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CN2CCC(O)c3ccccc32)CC1
InChIInChI=1S/C15H18N2O/c16-9-8-15(6-7-15)11-17-10-5-14(18)12-3-1-2-4-13(12)17/h1-4,14,18H,5-8,10-11H2
InChIKeyJHPDNVYGCOEILK-UHFFFAOYSA-N
XLogP2.62
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile
CID 114337618
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
2-[1-[(3-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65496770
1-[3-(dimethylamino)propyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114526948
1-pent-4-enyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337665
1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337590
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-[[1-(cyanomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 65496320

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile (CID 114337888) is 2-[1-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile is N#CCC1(CN2CCC(O)c3ccccc32)CC1.
What is the InChIKey of 2-[1-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is JHPDNVYGCOEILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-9-8-15(6-7-15)11-17-10-5-14(18)12-3-1-2-4-13(12)17/h1-4,14,18H,5-8,10-11H2.
What are the key properties of 2-[1-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 242.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 114337888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).