(2R,4R)-4-hydroxy-2-methyl-3,4-dihydro-2H-chromene-6-carbonitrile

C11H11NO2 — CID 131085984

IUPAC(2R,4R)-4-hydroxy-2-methyl-3,4-dihydro-2H-chromene-6-carbonitrile
SMILESC[C@@H]1C[C@@H](O)c2cc(C#N)ccc2O1
InChIInChI=1S/C11H11NO2/c1-7-4-10(13)9-5-8(6-12)2-3-11(9)14-7/h2-3,5,7,10,13H,4H2,1H3/t7-,10-/m1/s1
InChIKeyYTNNOCBKZDLBKU-GMSGAONNSA-N
MW189.21 g/mol
LogP1.76
Rot. Bonds

About (2R,4R)-4-hydroxy-2-methyl-3,4-dihydro-2H-chromene-6-carbonitrile

(2R,4R)-4-hydroxy-2-methyl-3,4-dihydro-2H-chromene-6-carbonitrile (PubChem CID 131085984) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-2-methyl-3,4-dihydro-2H-chromene-6-carbonitrile.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-2-methyl-3,4-dihydro-2H-chromene-6-carbonitrile
PubChem CID131085984
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(2R,4R)-4-hydroxy-2-methyl-3,4-dihydro-2H-chromene-6-carbonitrile
SMILESC[C@@H]1C[C@@H](O)c2cc(C#N)ccc2O1
InChIInChI=1S/C11H11NO2/c1-7-4-10(13)9-5-8(6-12)2-3-11(9)14-7/h2-3,5,7,10,13H,4H2,1H3/t7-,10-/m1/s1
InChIKeyYTNNOCBKZDLBKU-GMSGAONNSA-N
XLogP1.76
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol
CID 124573509
(4R)-7-bromo-2-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104949397
4-hydroxy-2-(methoxymethyl)-2-methyl-3,4-dihydrochromene-6-carbonitrile
CID 15056480
(3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 131140735
(3R,4S)-3-amino-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
CID 54556142
3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile
CID 102491716
4-cyclohexylsulfanyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
CID 14650545
6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114715661
(2R,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 129381670
6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114714596
(2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 129381669
8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 57278272

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-2-methyl-3,4-dihydro-2H-chromene-6-carbonitrile?
The IUPAC name of (2R,4R)-4-hydroxy-2-methyl-3,4-dihydro-2H-chromene-6-carbonitrile (CID 131085984) is (2R,4R)-4-hydroxy-2-methyl-3,4-dihydro-2H-chromene-6-carbonitrile.
What is the SMILES notation for (2R,4R)-4-hydroxy-2-methyl-3,4-dihydro-2H-chromene-6-carbonitrile?
The canonical SMILES for (2R,4R)-4-hydroxy-2-methyl-3,4-dihydro-2H-chromene-6-carbonitrile is C[C@@H]1C[C@@H](O)c2cc(C#N)ccc2O1.
What is the InChIKey of (2R,4R)-4-hydroxy-2-methyl-3,4-dihydro-2H-chromene-6-carbonitrile?
The InChIKey is YTNNOCBKZDLBKU-GMSGAONNSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-4-10(13)9-5-8(6-12)2-3-11(9)14-7/h2-3,5,7,10,13H,4H2,1H3/t7-,10-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-2-methyl-3,4-dihydro-2H-chromene-6-carbonitrile?
(2R,4R)-4-hydroxy-2-methyl-3,4-dihydro-2H-chromene-6-carbonitrile has a molecular weight of 189.21 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-2-methyl-3,4-dihydro-2H-chromene-6-carbonitrile is sourced from PubChem (CID 131085984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).