methyl (E)-3-[9-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]carbazol-3-yl]prop-2-enoate

C21H19NO5 — CID 149491100

IUPACmethyl (E)-3-[9-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]carbazol-3-yl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc2c(c1)c1ccccc1n2[C@H]1CC(O)=C(CO)O1
InChIInChI=1S/C21H19NO5/c1-26-21(25)9-7-13-6-8-17-15(10-13)14-4-2-3-5-16(14)22(17)20-11-18(24)19(12-23)27-20/h2-10,20,23-24H,11-12H2,1H3/b9-7+/t20-/m1/s1
InChIKeyZFCIMYPOCVFPNA-FHVRUZERSA-N
MW365.39 g/mol
LogP3.66
Rot. Bonds4

About methyl (E)-3-[9-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]carbazol-3-yl]prop-2-enoate

methyl (E)-3-[9-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]carbazol-3-yl]prop-2-enoate (PubChem CID 149491100) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl (E)-3-[9-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]carbazol-3-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[9-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]carbazol-3-yl]prop-2-enoate
PubChem CID149491100
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Namemethyl (E)-3-[9-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]carbazol-3-yl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc2c(c1)c1ccccc1n2[C@H]1CC(O)=C(CO)O1
InChIInChI=1S/C21H19NO5/c1-26-21(25)9-7-13-6-8-17-15(10-13)14-4-2-3-5-16(14)22(17)20-11-18(24)19(12-23)27-20/h2-10,20,23-24H,11-12H2,1H3/b9-7+/t20-/m1/s1
InChIKeyZFCIMYPOCVFPNA-FHVRUZERSA-N
XLogP3.66
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-[9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]carbazol-3-yl]prop-2-enoate
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methyl (E)-3-(1-methylindol-5-yl)prop-2-enoate
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[(3R,5R)-5-[3-[(E)-2-cyanoethenyl]carbazol-9-yl]-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate
CID 177220248
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
methyl (E)-3-anthracen-2-ylprop-2-enoate
CID 87861616
(1E,4E)-1-(9-ethylcarbazol-3-yl)-5-(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one
CID 89057721
(E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 29198621
methyl (E)-3-[1-(2-methylphenyl)indol-5-yl]prop-2-enoate
CID 154926307
(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 55394225
methyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate
CID 92532886

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[9-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]carbazol-3-yl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[9-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]carbazol-3-yl]prop-2-enoate (CID 149491100) is methyl (E)-3-[9-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]carbazol-3-yl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[9-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]carbazol-3-yl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[9-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]carbazol-3-yl]prop-2-enoate is COC(=O)/C=C/c1ccc2c(c1)c1ccccc1n2[C@H]1CC(O)=C(CO)O1.
What is the InChIKey of methyl (E)-3-[9-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]carbazol-3-yl]prop-2-enoate?
The InChIKey is ZFCIMYPOCVFPNA-FHVRUZERSA-N. The full InChI is InChI=1S/C21H19NO5/c1-26-21(25)9-7-13-6-8-17-15(10-13)14-4-2-3-5-16(14)22(17)20-11-18(24)19(12-23)27-20/h2-10,20,23-24H,11-12H2,1H3/b9-7+/t20-/m1/s1.
What are the key properties of methyl (E)-3-[9-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]carbazol-3-yl]prop-2-enoate?
methyl (E)-3-[9-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]carbazol-3-yl]prop-2-enoate has a molecular weight of 365.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[9-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]carbazol-3-yl]prop-2-enoate is sourced from PubChem (CID 149491100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).