4-(3-hydroxyoxolan-3-yl)-2,3-dihydrochromene-4-carbonitrile

C14H15NO3 — CID 79130378

IUPAC4-(3-hydroxyoxolan-3-yl)-2,3-dihydrochromene-4-carbonitrile
SMILESN#CC1(C2(O)CCOC2)CCOc2ccccc21
InChIInChI=1S/C14H15NO3/c15-9-13(14(16)6-7-17-10-14)5-8-18-12-4-2-1-3-11(12)13/h1-4,16H,5-8,10H2
InChIKeyVDJSFMAIPJKHCV-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.38
Rot. Bonds1

About 4-(3-hydroxyoxolan-3-yl)-2,3-dihydrochromene-4-carbonitrile

4-(3-hydroxyoxolan-3-yl)-2,3-dihydrochromene-4-carbonitrile (PubChem CID 79130378) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(3-hydroxyoxolan-3-yl)-2,3-dihydrochromene-4-carbonitrile.

Molecular Properties

Compound Name4-(3-hydroxyoxolan-3-yl)-2,3-dihydrochromene-4-carbonitrile
PubChem CID79130378
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name4-(3-hydroxyoxolan-3-yl)-2,3-dihydrochromene-4-carbonitrile
SMILESN#CC1(C2(O)CCOC2)CCOc2ccccc21
InChIInChI=1S/C14H15NO3/c15-9-13(14(16)6-7-17-10-14)5-8-18-12-4-2-1-3-11(12)13/h1-4,16H,5-8,10H2
InChIKeyVDJSFMAIPJKHCV-UHFFFAOYSA-N
XLogP1.38
TPSA62.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyoxolan-3-yl)-2,3-dihydrochromene-4-carbonitrile?
The IUPAC name of 4-(3-hydroxyoxolan-3-yl)-2,3-dihydrochromene-4-carbonitrile (CID 79130378) is 4-(3-hydroxyoxolan-3-yl)-2,3-dihydrochromene-4-carbonitrile.
What is the SMILES notation for 4-(3-hydroxyoxolan-3-yl)-2,3-dihydrochromene-4-carbonitrile?
The canonical SMILES for 4-(3-hydroxyoxolan-3-yl)-2,3-dihydrochromene-4-carbonitrile is N#CC1(C2(O)CCOC2)CCOc2ccccc21.
What is the InChIKey of 4-(3-hydroxyoxolan-3-yl)-2,3-dihydrochromene-4-carbonitrile?
The InChIKey is VDJSFMAIPJKHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c15-9-13(14(16)6-7-17-10-14)5-8-18-12-4-2-1-3-11(12)13/h1-4,16H,5-8,10H2.
What are the key properties of 4-(3-hydroxyoxolan-3-yl)-2,3-dihydrochromene-4-carbonitrile?
4-(3-hydroxyoxolan-3-yl)-2,3-dihydrochromene-4-carbonitrile has a molecular weight of 245.28 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyoxolan-3-yl)-2,3-dihydrochromene-4-carbonitrile is sourced from PubChem (CID 79130378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).