methyl (E)-3-[9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]carbazol-3-yl]prop-2-enoate

C23H25NO3 — CID 58139845

IUPACmethyl (E)-3-[9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]carbazol-3-yl]prop-2-enoate
SMILESCC[C@H]1O[C@@H](n2c3ccccc3c3cc(/C=C/C(=O)OC)ccc32)CC1C
InChIInChI=1S/C23H25NO3/c1-4-21-15(2)13-22(27-21)24-19-8-6-5-7-17(19)18-14-16(9-11-20(18)24)10-12-23(25)26-3/h5-12,14-15,21-22H,4,13H2,1-3H3/b12-10+/t15?,21-,22-/m1/s1
InChIKeyWCIPKBCLUVYGPA-YRUXCHCMSA-N
MW363.46 g/mol
LogP5.31
Rot. Bonds4

About methyl (E)-3-[9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]carbazol-3-yl]prop-2-enoate

methyl (E)-3-[9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]carbazol-3-yl]prop-2-enoate (PubChem CID 58139845) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is methyl (E)-3-[9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]carbazol-3-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]carbazol-3-yl]prop-2-enoate
PubChem CID58139845
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Namemethyl (E)-3-[9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]carbazol-3-yl]prop-2-enoate
SMILESCC[C@H]1O[C@@H](n2c3ccccc3c3cc(/C=C/C(=O)OC)ccc32)CC1C
InChIInChI=1S/C23H25NO3/c1-4-21-15(2)13-22(27-21)24-19-8-6-5-7-17(19)18-14-16(9-11-20(18)24)10-12-23(25)26-3/h5-12,14-15,21-22H,4,13H2,1-3H3/b12-10+/t15?,21-,22-/m1/s1
InChIKeyWCIPKBCLUVYGPA-YRUXCHCMSA-N
XLogP5.31
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (E)-3-[9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]carbazol-3-yl]prop-2-enoate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]carbazol-3-yl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]carbazol-3-yl]prop-2-enoate (CID 58139845) is methyl (E)-3-[9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]carbazol-3-yl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]carbazol-3-yl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]carbazol-3-yl]prop-2-enoate is CC[C@H]1O[C@@H](n2c3ccccc3c3cc(/C=C/C(=O)OC)ccc32)CC1C.
What is the InChIKey of methyl (E)-3-[9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]carbazol-3-yl]prop-2-enoate?
The InChIKey is WCIPKBCLUVYGPA-YRUXCHCMSA-N. The full InChI is InChI=1S/C23H25NO3/c1-4-21-15(2)13-22(27-21)24-19-8-6-5-7-17(19)18-14-16(9-11-20(18)24)10-12-23(25)26-3/h5-12,14-15,21-22H,4,13H2,1-3H3/b12-10+/t15?,21-,22-/m1/s1.
What are the key properties of methyl (E)-3-[9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]carbazol-3-yl]prop-2-enoate?
methyl (E)-3-[9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]carbazol-3-yl]prop-2-enoate has a molecular weight of 363.46 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]carbazol-3-yl]prop-2-enoate is sourced from PubChem (CID 58139845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).