prop-2-enyl (4S)-2-amino-6-chloro-4-[(1R)-1-cyano-2-oxo-2-prop-2-enoxyethyl]-4H-chromene-3-carboxylate

C19H17ClN2O5 — CID 102466463

IUPACprop-2-enyl (4S)-2-amino-6-chloro-4-[(1R)-1-cyano-2-oxo-2-prop-2-enoxyethyl]-4H-chromene-3-carboxylate
SMILESC=CCOC(=O)C1=C(N)Oc2ccc(Cl)cc2[C@@H]1[C@H](C#N)C(=O)OCC=C
InChIInChI=1S/C19H17ClN2O5/c1-3-7-25-18(23)13(10-21)15-12-9-11(20)5-6-14(12)27-17(22)16(15)19(24)26-8-4-2/h3-6,9,13,15H,1-2,7-8,22H2/t13-,15+/m0/s1
InChIKeyWDBGALCAMRRSEY-DZGCQCFKSA-N
MW388.81 g/mol
LogP2.58
Rot. Bonds7

About prop-2-enyl (4S)-2-amino-6-chloro-4-[(1R)-1-cyano-2-oxo-2-prop-2-enoxyethyl]-4H-chromene-3-carboxylate

prop-2-enyl (4S)-2-amino-6-chloro-4-[(1R)-1-cyano-2-oxo-2-prop-2-enoxyethyl]-4H-chromene-3-carboxylate (PubChem CID 102466463) has the molecular formula C19H17ClN2O5 and a molecular weight of 388.81 g/mol. Its IUPAC name is prop-2-enyl (4S)-2-amino-6-chloro-4-[(1R)-1-cyano-2-oxo-2-prop-2-enoxyethyl]-4H-chromene-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (4S)-2-amino-6-chloro-4-[(1R)-1-cyano-2-oxo-2-prop-2-enoxyethyl]-4H-chromene-3-carboxylate
PubChem CID102466463
Molecular FormulaC19H17ClN2O5
Molecular Weight388.81 g/mol
Exact Mass388.08
IUPAC Nameprop-2-enyl (4S)-2-amino-6-chloro-4-[(1R)-1-cyano-2-oxo-2-prop-2-enoxyethyl]-4H-chromene-3-carboxylate
SMILESC=CCOC(=O)C1=C(N)Oc2ccc(Cl)cc2[C@@H]1[C@H](C#N)C(=O)OCC=C
InChIInChI=1S/C19H17ClN2O5/c1-3-7-25-18(23)13(10-21)15-12-9-11(20)5-6-14(12)27-17(22)16(15)19(24)26-8-4-2/h3-6,9,13,15H,1-2,7-8,22H2/t13-,15+/m0/s1
InChIKeyWDBGALCAMRRSEY-DZGCQCFKSA-N
XLogP2.58
TPSA111.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl (4S)-2-amino-6-chloro-4-[(1R)-1-cyano-2-oxo-2-prop-2-enoxyethyl]-4H-chromene-3-carboxylate 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

ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate
CID 3549
prop-2-enyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-methyl-4H-pyran-3-carboxylate
CID 3485504
ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate;methyl 2-amino-6-bromo-4-(1-cyano-2-methoxy-2-oxoethyl)-8-methoxy-4H-chromene-3-carboxylate
CID 159452842
prop-2-enyl (4S)-6-amino-4-(3-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 7013714
ethyl (4S)-2-amino-4-(dicyanomethyl)-4H-chromene-3-carboxylate
CID 6923286
2-amino-6-chloro-4-(2-oxobutyl)-4H-chromene-3-carbonitrile
CID 135002607
[2-amino-3-cyano-4-(4-prop-2-enoxyphenyl)-4H-chromen-7-yl] 2,4-dichlorobenzoate
CID 19122648
prop-2-enyl 6-amino-4-(2-chloro-7-ethoxyquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 3169411
prop-2-enyl (4S)-6-amino-4-(2-chloro-7,8-dimethylquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 7119679
[2-amino-3-cyano-4-(4-prop-2-enoxyphenyl)-4H-chromen-7-yl] 3-chlorobenzoate
CID 19122683
prop-2-enyl 5-[[(2R)-2-amino-2-cyanoethoxy]methyl]-2-fluorobenzoate
CID 59089140
prop-2-enyl 6-amino-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxylate
CID 4518786

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (4S)-2-amino-6-chloro-4-[(1R)-1-cyano-2-oxo-2-prop-2-enoxyethyl]-4H-chromene-3-carboxylate?
The IUPAC name of prop-2-enyl (4S)-2-amino-6-chloro-4-[(1R)-1-cyano-2-oxo-2-prop-2-enoxyethyl]-4H-chromene-3-carboxylate (CID 102466463) is prop-2-enyl (4S)-2-amino-6-chloro-4-[(1R)-1-cyano-2-oxo-2-prop-2-enoxyethyl]-4H-chromene-3-carboxylate.
What is the SMILES notation for prop-2-enyl (4S)-2-amino-6-chloro-4-[(1R)-1-cyano-2-oxo-2-prop-2-enoxyethyl]-4H-chromene-3-carboxylate?
The canonical SMILES for prop-2-enyl (4S)-2-amino-6-chloro-4-[(1R)-1-cyano-2-oxo-2-prop-2-enoxyethyl]-4H-chromene-3-carboxylate is C=CCOC(=O)C1=C(N)Oc2ccc(Cl)cc2[C@@H]1[C@H](C#N)C(=O)OCC=C.
What is the InChIKey of prop-2-enyl (4S)-2-amino-6-chloro-4-[(1R)-1-cyano-2-oxo-2-prop-2-enoxyethyl]-4H-chromene-3-carboxylate?
The InChIKey is WDBGALCAMRRSEY-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H17ClN2O5/c1-3-7-25-18(23)13(10-21)15-12-9-11(20)5-6-14(12)27-17(22)16(15)19(24)26-8-4-2/h3-6,9,13,15H,1-2,7-8,22H2/t13-,15+/m0/s1.
What are the key properties of prop-2-enyl (4S)-2-amino-6-chloro-4-[(1R)-1-cyano-2-oxo-2-prop-2-enoxyethyl]-4H-chromene-3-carboxylate?
prop-2-enyl (4S)-2-amino-6-chloro-4-[(1R)-1-cyano-2-oxo-2-prop-2-enoxyethyl]-4H-chromene-3-carboxylate has a molecular weight of 388.81 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (4S)-2-amino-6-chloro-4-[(1R)-1-cyano-2-oxo-2-prop-2-enoxyethyl]-4H-chromene-3-carboxylate is sourced from PubChem (CID 102466463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).