[(Z)-(2,2-dimethyl-8-oxo-4H-pyrano[3,2-g]chromen-3-ylidene)amino] (E)-3-phenylprop-2-enoate

C23H19NO5 — CID 143740046

IUPAC[(Z)-(2,2-dimethyl-8-oxo-4H-pyrano[3,2-g]chromen-3-ylidene)amino] (E)-3-phenylprop-2-enoate
SMILESCC1(C)Oc2cc3oc(=O)ccc3cc2C/C1=N/OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C23H19NO5/c1-23(2)20(24-29-22(26)10-8-15-6-4-3-5-7-15)13-17-12-16-9-11-21(25)27-18(16)14-19(17)28-23/h3-12,14H,13H2,1-2H3/b10-8+,24-20-
InChIKeySVCQVENCZKUDKZ-OIYIWYIDSA-N
MW389.41 g/mol
LogP4.12
Rot. Bonds3

About [(Z)-(2,2-dimethyl-8-oxo-4H-pyrano[3,2-g]chromen-3-ylidene)amino] (E)-3-phenylprop-2-enoate

[(Z)-(2,2-dimethyl-8-oxo-4H-pyrano[3,2-g]chromen-3-ylidene)amino] (E)-3-phenylprop-2-enoate (PubChem CID 143740046) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is [(Z)-(2,2-dimethyl-8-oxo-4H-pyrano[3,2-g]chromen-3-ylidene)amino] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[(Z)-(2,2-dimethyl-8-oxo-4H-pyrano[3,2-g]chromen-3-ylidene)amino] (E)-3-phenylprop-2-enoate
PubChem CID143740046
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name[(Z)-(2,2-dimethyl-8-oxo-4H-pyrano[3,2-g]chromen-3-ylidene)amino] (E)-3-phenylprop-2-enoate
SMILESCC1(C)Oc2cc3oc(=O)ccc3cc2C/C1=N/OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C23H19NO5/c1-23(2)20(24-29-22(26)10-8-15-6-4-3-5-7-15)13-17-12-16-9-11-21(25)27-18(16)14-19(17)28-23/h3-12,14H,13H2,1-2H3/b10-8+,24-20-
InChIKeySVCQVENCZKUDKZ-OIYIWYIDSA-N
XLogP4.12
TPSA78.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(2,2-dimethyl-8-oxo-4H-pyrano[3,2-g]chromen-3-ylidene)amino] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 25020067
[(3R)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] 3-(4-nitrophenyl)prop-2-enoate
CID 142698588
[(3R)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] 3-(3,4,5-trihydroxyphenyl)prop-2-enoate
CID 142698592
[(3R)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] 3-(2-methoxyphenyl)prop-2-enoate
CID 142698602
(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) 3-(2-methoxyphenyl)prop-2-enoate
CID 142692170
[(3S)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] (E)-3-thiophen-2-ylprop-2-enoate
CID 50908346
[(3S)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] N-[(E)-2-phenylethenyl]carbamate;(3S)-2,2-dimethyl-3-[(E)-3-phenylprop-2-enoxy]-3,4-dihydropyrano[3,2-g]chromen-8-one
CID 157229454
[(3S)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] 3-phenylpropanoate
CID 50905352
(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
CID 1150962
[(2,6-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] (Z)-3-phenylprop-2-enoate
CID 2304811
[(3S)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 89299007
(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) 4-hydroxy-3-methylbut-2-enoate
CID 72786169

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2,2-dimethyl-8-oxo-4H-pyrano[3,2-g]chromen-3-ylidene)amino] (E)-3-phenylprop-2-enoate?
The IUPAC name of [(Z)-(2,2-dimethyl-8-oxo-4H-pyrano[3,2-g]chromen-3-ylidene)amino] (E)-3-phenylprop-2-enoate (CID 143740046) is [(Z)-(2,2-dimethyl-8-oxo-4H-pyrano[3,2-g]chromen-3-ylidene)amino] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [(Z)-(2,2-dimethyl-8-oxo-4H-pyrano[3,2-g]chromen-3-ylidene)amino] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [(Z)-(2,2-dimethyl-8-oxo-4H-pyrano[3,2-g]chromen-3-ylidene)amino] (E)-3-phenylprop-2-enoate is CC1(C)Oc2cc3oc(=O)ccc3cc2C/C1=N/OC(=O)/C=C/c1ccccc1.
What is the InChIKey of [(Z)-(2,2-dimethyl-8-oxo-4H-pyrano[3,2-g]chromen-3-ylidene)amino] (E)-3-phenylprop-2-enoate?
The InChIKey is SVCQVENCZKUDKZ-OIYIWYIDSA-N. The full InChI is InChI=1S/C23H19NO5/c1-23(2)20(24-29-22(26)10-8-15-6-4-3-5-7-15)13-17-12-16-9-11-21(25)27-18(16)14-19(17)28-23/h3-12,14H,13H2,1-2H3/b10-8+,24-20-.
What are the key properties of [(Z)-(2,2-dimethyl-8-oxo-4H-pyrano[3,2-g]chromen-3-ylidene)amino] (E)-3-phenylprop-2-enoate?
[(Z)-(2,2-dimethyl-8-oxo-4H-pyrano[3,2-g]chromen-3-ylidene)amino] (E)-3-phenylprop-2-enoate has a molecular weight of 389.41 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2,2-dimethyl-8-oxo-4H-pyrano[3,2-g]chromen-3-ylidene)amino] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 143740046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).