3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde

C18H15NO2 — CID 5319962

IUPAC3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde
SMILESCC1(C)C=Cc2c(c(C=O)cc3c2[nH]c2ccccc23)O1
InChIInChI=1S/C18H15NO2/c1-18(2)8-7-13-16-14(9-11(10-20)17(13)21-18)12-5-3-4-6-15(12)19-16/h3-10,19H,1-2H3
InChIKeyUBTAPPWQYRWQOH-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.32
Rot. Bonds1

About 3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde

3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde (PubChem CID 5319962) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde.

Molecular Properties

Compound Name3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde
PubChem CID5319962
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde
SMILESCC1(C)C=Cc2c(c(C=O)cc3c2[nH]c2ccccc23)O1
InChIInChI=1S/C18H15NO2/c1-18(2)8-7-13-16-14(9-11(10-20)17(13)21-18)12-5-3-4-6-15(12)19-16/h3-10,19H,1-2H3
InChIKeyUBTAPPWQYRWQOH-UHFFFAOYSA-N
XLogP4.32
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde?
The IUPAC name of 3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde (CID 5319962) is 3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde.
What is the SMILES notation for 3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde?
The canonical SMILES for 3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde is CC1(C)C=Cc2c(c(C=O)cc3c2[nH]c2ccccc23)O1.
What is the InChIKey of 3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde?
The InChIKey is UBTAPPWQYRWQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-18(2)8-7-13-16-14(9-11(10-20)17(13)21-18)12-5-3-4-6-15(12)19-16/h3-10,19H,1-2H3.
What are the key properties of 3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde?
3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde has a molecular weight of 277.32 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde is sourced from PubChem (CID 5319962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).