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

C19H17NO3 — CID 57409550

IUPAC8-methoxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde
SMILESCOc1ccc2[nH]c3c4c(c(C=O)cc3c2c1)OC(C)(C)C=C4
InChIInChI=1S/C19H17NO3/c1-19(2)7-6-13-17-15(8-11(10-21)18(13)23-19)14-9-12(22-3)4-5-16(14)20-17/h4-10,20H,1-3H3
InChIKeyQBWFLAHUWCLAKK-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.33
Rot. Bonds2

About 8-methoxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde

8-methoxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde (PubChem CID 57409550) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 8-methoxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde.

Molecular Properties

Compound Name8-methoxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde
PubChem CID57409550
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name8-methoxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde
SMILESCOc1ccc2[nH]c3c4c(c(C=O)cc3c2c1)OC(C)(C)C=C4
InChIInChI=1S/C19H17NO3/c1-19(2)7-6-13-17-15(8-11(10-21)18(13)23-19)14-9-12(22-3)4-5-16(14)20-17/h4-10,20H,1-3H3
InChIKeyQBWFLAHUWCLAKK-UHFFFAOYSA-N
XLogP4.33
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde?
The IUPAC name of 8-methoxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde (CID 57409550) is 8-methoxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde.
What is the SMILES notation for 8-methoxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde?
The canonical SMILES for 8-methoxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde is COc1ccc2[nH]c3c4c(c(C=O)cc3c2c1)OC(C)(C)C=C4.
What is the InChIKey of 8-methoxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde?
The InChIKey is QBWFLAHUWCLAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-19(2)7-6-13-17-15(8-11(10-21)18(13)23-19)14-9-12(22-3)4-5-16(14)20-17/h4-10,20H,1-3H3.
What are the key properties of 8-methoxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde?
8-methoxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde has a molecular weight of 307.35 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde is sourced from PubChem (CID 57409550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).