(4S)-2-amino-4-cyclohexyl-7-hydroxy-4H-chromene-3-carbonitrile

C16H18N2O2 — CID 716992

IUPAC(4S)-2-amino-4-cyclohexyl-7-hydroxy-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2cc(O)ccc2[C@@H]1C1CCCCC1
InChIInChI=1S/C16H18N2O2/c17-9-13-15(10-4-2-1-3-5-10)12-7-6-11(19)8-14(12)20-16(13)18/h6-8,10,15,19H,1-5,18H2/t15-/m0/s1
InChIKeyRCUHKPVJTMSGQZ-HNNXBMFYSA-N
MW270.33 g/mol
LogP3.14
Rot. Bonds1

About (4S)-2-amino-4-cyclohexyl-7-hydroxy-4H-chromene-3-carbonitrile

(4S)-2-amino-4-cyclohexyl-7-hydroxy-4H-chromene-3-carbonitrile (PubChem CID 716992) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (4S)-2-amino-4-cyclohexyl-7-hydroxy-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name(4S)-2-amino-4-cyclohexyl-7-hydroxy-4H-chromene-3-carbonitrile
PubChem CID716992
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(4S)-2-amino-4-cyclohexyl-7-hydroxy-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2cc(O)ccc2[C@@H]1C1CCCCC1
InChIInChI=1S/C16H18N2O2/c17-9-13-15(10-4-2-1-3-5-10)12-7-6-11(19)8-14(12)20-16(13)18/h6-8,10,15,19H,1-5,18H2/t15-/m0/s1
InChIKeyRCUHKPVJTMSGQZ-HNNXBMFYSA-N
XLogP3.14
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-2-amino-4-cyclohexyl-7-hydroxy-4H-chromene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-2,7-diamino-4-cyclohexyl-4H-chromene-3-carbonitrile
CID 717008
2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile
CID 2837584
(4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile
CID 752580
(4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 766183
2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile
CID 2835001
2-amino-7-hydroxy-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile
CID 4678187
2-amino-4-(4-butoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 3112858
2-amino-4-(3-chloro-4-methoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 3153844
(4R)-2-amino-4-(3-chloro-4-methoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 752577
(4S)-2-amino-4-(2-chloro-6-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 8613693
(4S)-2-amino-4-(2,5-diethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 1021575
(4R)-2-amino-4-(3,5-dichloro-4-ethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 126137936

Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-4-cyclohexyl-7-hydroxy-4H-chromene-3-carbonitrile?
The IUPAC name of (4S)-2-amino-4-cyclohexyl-7-hydroxy-4H-chromene-3-carbonitrile (CID 716992) is (4S)-2-amino-4-cyclohexyl-7-hydroxy-4H-chromene-3-carbonitrile.
What is the SMILES notation for (4S)-2-amino-4-cyclohexyl-7-hydroxy-4H-chromene-3-carbonitrile?
The canonical SMILES for (4S)-2-amino-4-cyclohexyl-7-hydroxy-4H-chromene-3-carbonitrile is N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1C1CCCCC1.
What is the InChIKey of (4S)-2-amino-4-cyclohexyl-7-hydroxy-4H-chromene-3-carbonitrile?
The InChIKey is RCUHKPVJTMSGQZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-9-13-15(10-4-2-1-3-5-10)12-7-6-11(19)8-14(12)20-16(13)18/h6-8,10,15,19H,1-5,18H2/t15-/m0/s1.
What are the key properties of (4S)-2-amino-4-cyclohexyl-7-hydroxy-4H-chromene-3-carbonitrile?
(4S)-2-amino-4-cyclohexyl-7-hydroxy-4H-chromene-3-carbonitrile has a molecular weight of 270.33 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-amino-4-cyclohexyl-7-hydroxy-4H-chromene-3-carbonitrile is sourced from PubChem (CID 716992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).