2-(oxolan-3-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile

C15H17NO — CID 114277474

IUPAC2-(oxolan-3-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESN#CC1(C2CCOC2)CCc2ccccc2C1
InChIInChI=1S/C15H17NO/c16-11-15(14-6-8-17-10-14)7-5-12-3-1-2-4-13(12)9-15/h1-4,14H,5-10H2
InChIKeyGGERMUNFTQMLOR-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.72
Rot. Bonds1

About 2-(oxolan-3-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile

2-(oxolan-3-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile (PubChem CID 114277474) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name2-(oxolan-3-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
PubChem CID114277474
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-(oxolan-3-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESN#CC1(C2CCOC2)CCc2ccccc2C1
InChIInChI=1S/C15H17NO/c16-11-15(14-6-8-17-10-14)7-5-12-3-1-2-4-13(12)9-15/h1-4,14H,5-10H2
InChIKeyGGERMUNFTQMLOR-UHFFFAOYSA-N
XLogP2.72
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[hydroxy(oxan-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 79132573
2-(oxolan-3-yl)-1,3-dihydroindene-2-carboxylic acid
CID 79429170
2-(oxan-3-yl)-1,3-dihydroinden-2-ol
CID 107135477
2-(oxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 79429640
2-(4-hydroxyoxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 79130072
1-[hydroxy(oxolan-3-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79136549
1-[hydroxy(oxolan-3-yl)methyl]-2,3-dihydroindene-1-carbonitrile
CID 79136458
2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile;hydrochloride
CID 19919898
1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carbonitrile
CID 18975701
2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 79908074
2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 60997796
2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 10375184

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The IUPAC name of 2-(oxolan-3-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile (CID 114277474) is 2-(oxolan-3-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile.
What is the SMILES notation for 2-(oxolan-3-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The canonical SMILES for 2-(oxolan-3-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile is N#CC1(C2CCOC2)CCc2ccccc2C1.
What is the InChIKey of 2-(oxolan-3-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The InChIKey is GGERMUNFTQMLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c16-11-15(14-6-8-17-10-14)7-5-12-3-1-2-4-13(12)9-15/h1-4,14H,5-10H2.
What are the key properties of 2-(oxolan-3-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
2-(oxolan-3-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile has a molecular weight of 227.31 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile is sourced from PubChem (CID 114277474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).