methyl (4bR,8aR)-2-hydroxy-8a,9-dihydro-4bH-carbazole-3-carboxylate

C14H13NO3 — CID 11025381

IUPACmethyl (4bR,8aR)-2-hydroxy-8a,9-dihydro-4bH-carbazole-3-carboxylate
SMILESCOC(=O)c1cc2c(cc1O)N[C@@H]1C=CC=C[C@H]21
InChIInChI=1S/C14H13NO3/c1-18-14(17)10-6-9-8-4-2-3-5-11(8)15-12(9)7-13(10)16/h2-8,11,15-16H,1H3/t8-,11-/m1/s1
InChIKeyVRSRLLQMDMRGAH-LDYMZIIASA-N
MW243.26 g/mol
LogP2.18
Rot. Bonds1

About methyl (4bR,8aR)-2-hydroxy-8a,9-dihydro-4bH-carbazole-3-carboxylate

methyl (4bR,8aR)-2-hydroxy-8a,9-dihydro-4bH-carbazole-3-carboxylate (PubChem CID 11025381) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl (4bR,8aR)-2-hydroxy-8a,9-dihydro-4bH-carbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl (4bR,8aR)-2-hydroxy-8a,9-dihydro-4bH-carbazole-3-carboxylate
PubChem CID11025381
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl (4bR,8aR)-2-hydroxy-8a,9-dihydro-4bH-carbazole-3-carboxylate
SMILESCOC(=O)c1cc2c(cc1O)N[C@@H]1C=CC=C[C@H]21
InChIInChI=1S/C14H13NO3/c1-18-14(17)10-6-9-8-4-2-3-5-11(8)15-12(9)7-13(10)16/h2-8,11,15-16H,1H3/t8-,11-/m1/s1
InChIKeyVRSRLLQMDMRGAH-LDYMZIIASA-N
XLogP2.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4bR,8aR)-2-hydroxy-8a,9-dihydro-4bH-carbazole-3-carboxylate?
The IUPAC name of methyl (4bR,8aR)-2-hydroxy-8a,9-dihydro-4bH-carbazole-3-carboxylate (CID 11025381) is methyl (4bR,8aR)-2-hydroxy-8a,9-dihydro-4bH-carbazole-3-carboxylate.
What is the SMILES notation for methyl (4bR,8aR)-2-hydroxy-8a,9-dihydro-4bH-carbazole-3-carboxylate?
The canonical SMILES for methyl (4bR,8aR)-2-hydroxy-8a,9-dihydro-4bH-carbazole-3-carboxylate is COC(=O)c1cc2c(cc1O)N[C@@H]1C=CC=C[C@H]21.
What is the InChIKey of methyl (4bR,8aR)-2-hydroxy-8a,9-dihydro-4bH-carbazole-3-carboxylate?
The InChIKey is VRSRLLQMDMRGAH-LDYMZIIASA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-14(17)10-6-9-8-4-2-3-5-11(8)15-12(9)7-13(10)16/h2-8,11,15-16H,1H3/t8-,11-/m1/s1.
What are the key properties of methyl (4bR,8aR)-2-hydroxy-8a,9-dihydro-4bH-carbazole-3-carboxylate?
methyl (4bR,8aR)-2-hydroxy-8a,9-dihydro-4bH-carbazole-3-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4bR,8aR)-2-hydroxy-8a,9-dihydro-4bH-carbazole-3-carboxylate is sourced from PubChem (CID 11025381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).