(3R)-4-[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]morpholine-3-carbonitrile

C15H16N2O3 — CID 97016775

IUPAC(3R)-4-[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]morpholine-3-carbonitrile
SMILESN#C[C@@H]1COCCN1C(=O)[C@H]1CCOc2ccccc21
InChIInChI=1S/C15H16N2O3/c16-9-11-10-19-8-6-17(11)15(18)13-5-7-20-14-4-2-1-3-12(13)14/h1-4,11,13H,5-8,10H2/t11-,13+/m1/s1
InChIKeyZMBOPBXOEZNXRQ-YPMHNXCESA-N
MW272.30 g/mol
LogP1.30
Rot. Bonds1

About (3R)-4-[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]morpholine-3-carbonitrile

(3R)-4-[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]morpholine-3-carbonitrile (PubChem CID 97016775) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (3R)-4-[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]morpholine-3-carbonitrile.

Molecular Properties

Compound Name(3R)-4-[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]morpholine-3-carbonitrile
PubChem CID97016775
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(3R)-4-[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]morpholine-3-carbonitrile
SMILESN#C[C@@H]1COCCN1C(=O)[C@H]1CCOc2ccccc21
InChIInChI=1S/C15H16N2O3/c16-9-11-10-19-8-6-17(11)15(18)13-5-7-20-14-4-2-1-3-12(13)14/h1-4,11,13H,5-8,10H2/t11-,13+/m1/s1
InChIKeyZMBOPBXOEZNXRQ-YPMHNXCESA-N
XLogP1.30
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-4-[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]morpholine-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

3,4-dihydro-2H-chromen-4-yl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 63710482
2,3-dihydro-1-benzofuran-3-yl-(3-phenylmorpholin-4-yl)methanone
CID 71993262
2-[1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 63709189
[2-(aminomethyl)piperidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63709950
2-[4-(3,4-dihydro-2H-chromene-4-carbonyl)piperazin-1-yl]benzonitrile
CID 122136948
3,4-dihydro-2H-chromen-4-yl-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 86951232
3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone
CID 110647806
[4-(bromomethyl)piperidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 80678666
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone
CID 124556470
[(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 97053753
methyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate
CID 63184336
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 81468969

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]morpholine-3-carbonitrile?
The IUPAC name of (3R)-4-[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]morpholine-3-carbonitrile (CID 97016775) is (3R)-4-[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]morpholine-3-carbonitrile.
What is the SMILES notation for (3R)-4-[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]morpholine-3-carbonitrile?
The canonical SMILES for (3R)-4-[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]morpholine-3-carbonitrile is N#C[C@@H]1COCCN1C(=O)[C@H]1CCOc2ccccc21.
What is the InChIKey of (3R)-4-[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]morpholine-3-carbonitrile?
The InChIKey is ZMBOPBXOEZNXRQ-YPMHNXCESA-N. The full InChI is InChI=1S/C15H16N2O3/c16-9-11-10-19-8-6-17(11)15(18)13-5-7-20-14-4-2-1-3-12(13)14/h1-4,11,13H,5-8,10H2/t11-,13+/m1/s1.
What are the key properties of (3R)-4-[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]morpholine-3-carbonitrile?
(3R)-4-[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]morpholine-3-carbonitrile has a molecular weight of 272.30 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]morpholine-3-carbonitrile is sourced from PubChem (CID 97016775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).