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

C16H19NO2 — CID 79130072

IUPAC2-(4-hydroxyoxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESN#CC1(C2(O)CCOCC2)CCc2ccccc2C1
InChIInChI=1S/C16H19NO2/c17-12-15(16(18)7-9-19-10-8-16)6-5-13-3-1-2-4-14(13)11-15/h1-4,18H,5-11H2
InChIKeyUQDMFOMFBRMFSM-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.23
Rot. Bonds1

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

2-(4-hydroxyoxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile (PubChem CID 79130072) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(4-hydroxyoxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name2-(4-hydroxyoxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
PubChem CID79130072
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-(4-hydroxyoxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESN#CC1(C2(O)CCOCC2)CCc2ccccc2C1
InChIInChI=1S/C16H19NO2/c17-12-15(16(18)7-9-19-10-8-16)6-5-13-3-1-2-4-14(13)11-15/h1-4,18H,5-11H2
InChIKeyUQDMFOMFBRMFSM-UHFFFAOYSA-N
XLogP2.23
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyoxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The IUPAC name of 2-(4-hydroxyoxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile (CID 79130072) is 2-(4-hydroxyoxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile.
What is the SMILES notation for 2-(4-hydroxyoxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The canonical SMILES for 2-(4-hydroxyoxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile is N#CC1(C2(O)CCOCC2)CCc2ccccc2C1.
What is the InChIKey of 2-(4-hydroxyoxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The InChIKey is UQDMFOMFBRMFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c17-12-15(16(18)7-9-19-10-8-16)6-5-13-3-1-2-4-14(13)11-15/h1-4,18H,5-11H2.
What are the key properties of 2-(4-hydroxyoxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
2-(4-hydroxyoxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile has a molecular weight of 257.33 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyoxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile is sourced from PubChem (CID 79130072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).