(3S)-5-methyl-3-(4-methylpent-3-enyl)-3,11-dihydropyrano[3,2-a]carbazol-9-ol

C22H23NO2 — CID 46229242

IUPAC(3S)-5-methyl-3-(4-methylpent-3-enyl)-3,11-dihydropyrano[3,2-a]carbazol-9-ol
SMILESCC(C)=CCC[C@H]1C=Cc2c(c(C)cc3c2[nH]c2cc(O)ccc23)O1
InChIInChI=1S/C22H23NO2/c1-13(2)5-4-6-16-8-10-18-21-19(11-14(3)22(18)25-16)17-9-7-15(24)12-20(17)23-21/h5,7-12,16,23-24H,4,6H2,1-3H3/t16-/m0/s1
InChIKeyUKLOEFBVUZOVRX-INIZCTEOSA-N
MW333.43 g/mol
LogP5.86
Rot. Bonds3

About (3S)-5-methyl-3-(4-methylpent-3-enyl)-3,11-dihydropyrano[3,2-a]carbazol-9-ol

(3S)-5-methyl-3-(4-methylpent-3-enyl)-3,11-dihydropyrano[3,2-a]carbazol-9-ol (PubChem CID 46229242) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (3S)-5-methyl-3-(4-methylpent-3-enyl)-3,11-dihydropyrano[3,2-a]carbazol-9-ol.

Molecular Properties

Compound Name(3S)-5-methyl-3-(4-methylpent-3-enyl)-3,11-dihydropyrano[3,2-a]carbazol-9-ol
PubChem CID46229242
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name(3S)-5-methyl-3-(4-methylpent-3-enyl)-3,11-dihydropyrano[3,2-a]carbazol-9-ol
SMILESCC(C)=CCC[C@H]1C=Cc2c(c(C)cc3c2[nH]c2cc(O)ccc23)O1
InChIInChI=1S/C22H23NO2/c1-13(2)5-4-6-16-8-10-18-21-19(11-14(3)22(18)25-16)17-9-7-15(24)12-20(17)23-21/h5,7-12,16,23-24H,4,6H2,1-3H3/t16-/m0/s1
InChIKeyUKLOEFBVUZOVRX-INIZCTEOSA-N
XLogP5.86
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-methyl-3-(4-methylpent-3-enyl)-3,11-dihydropyrano[3,2-a]carbazol-9-ol?
The IUPAC name of (3S)-5-methyl-3-(4-methylpent-3-enyl)-3,11-dihydropyrano[3,2-a]carbazol-9-ol (CID 46229242) is (3S)-5-methyl-3-(4-methylpent-3-enyl)-3,11-dihydropyrano[3,2-a]carbazol-9-ol.
What is the SMILES notation for (3S)-5-methyl-3-(4-methylpent-3-enyl)-3,11-dihydropyrano[3,2-a]carbazol-9-ol?
The canonical SMILES for (3S)-5-methyl-3-(4-methylpent-3-enyl)-3,11-dihydropyrano[3,2-a]carbazol-9-ol is CC(C)=CCC[C@H]1C=Cc2c(c(C)cc3c2[nH]c2cc(O)ccc23)O1.
What is the InChIKey of (3S)-5-methyl-3-(4-methylpent-3-enyl)-3,11-dihydropyrano[3,2-a]carbazol-9-ol?
The InChIKey is UKLOEFBVUZOVRX-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23NO2/c1-13(2)5-4-6-16-8-10-18-21-19(11-14(3)22(18)25-16)17-9-7-15(24)12-20(17)23-21/h5,7-12,16,23-24H,4,6H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-5-methyl-3-(4-methylpent-3-enyl)-3,11-dihydropyrano[3,2-a]carbazol-9-ol?
(3S)-5-methyl-3-(4-methylpent-3-enyl)-3,11-dihydropyrano[3,2-a]carbazol-9-ol has a molecular weight of 333.43 g/mol, XLogP of 5.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methyl-3-(4-methylpent-3-enyl)-3,11-dihydropyrano[3,2-a]carbazol-9-ol is sourced from PubChem (CID 46229242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).