5a,12,12b,12c-tetrahydro-4aH-[1]benzofuro[3,2-a]carbazole

C18H15NO — CID 163530129

IUPAC5a,12,12b,12c-tetrahydro-4aH-[1]benzofuro[3,2-a]carbazole
SMILESC1=CC2OC3C=Cc4c([nH]c5ccccc45)C3C2C=C1
InChIInChI=1S/C18H15NO/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)19-14)13-6-2-4-8-15(13)20-16/h1-10,13,15-17,19H
InChIKeyDSGSUIYULLTHGZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.79
Rot. Bonds

About 5a,12,12b,12c-tetrahydro-4aH-[1]benzofuro[3,2-a]carbazole

5a,12,12b,12c-tetrahydro-4aH-[1]benzofuro[3,2-a]carbazole (PubChem CID 163530129) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 5a,12,12b,12c-tetrahydro-4aH-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name5a,12,12b,12c-tetrahydro-4aH-[1]benzofuro[3,2-a]carbazole
PubChem CID163530129
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name5a,12,12b,12c-tetrahydro-4aH-[1]benzofuro[3,2-a]carbazole
SMILESC1=CC2OC3C=Cc4c([nH]c5ccccc45)C3C2C=C1
InChIInChI=1S/C18H15NO/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)19-14)13-6-2-4-8-15(13)20-16/h1-10,13,15-17,19H
InChIKeyDSGSUIYULLTHGZ-UHFFFAOYSA-N
XLogP3.79
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5a,12,12b,12c-tetrahydro-4aH-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 5a,12,12b,12c-tetrahydro-4aH-[1]benzofuro[3,2-a]carbazole (CID 163530129) is 5a,12,12b,12c-tetrahydro-4aH-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 5a,12,12b,12c-tetrahydro-4aH-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 5a,12,12b,12c-tetrahydro-4aH-[1]benzofuro[3,2-a]carbazole is C1=CC2OC3C=Cc4c([nH]c5ccccc45)C3C2C=C1.
What is the InChIKey of 5a,12,12b,12c-tetrahydro-4aH-[1]benzofuro[3,2-a]carbazole?
The InChIKey is DSGSUIYULLTHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)19-14)13-6-2-4-8-15(13)20-16/h1-10,13,15-17,19H.
What are the key properties of 5a,12,12b,12c-tetrahydro-4aH-[1]benzofuro[3,2-a]carbazole?
5a,12,12b,12c-tetrahydro-4aH-[1]benzofuro[3,2-a]carbazole has a molecular weight of 261.32 g/mol, XLogP of 3.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5a,12,12b,12c-tetrahydro-4aH-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 163530129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).