N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)furan-2-carboxamide

C17H16N2O2 — CID 852322

IUPACN-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2[nH]c3c(c2c1)CCCC3)c1ccco1
InChIInChI=1S/C17H16N2O2/c20-17(16-6-3-9-21-16)18-11-7-8-15-13(10-11)12-4-1-2-5-14(12)19-15/h3,6-10,19H,1-2,4-5H2,(H,18,20)
InChIKeyCONWFXWOGDRZKN-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.89
Rot. Bonds2

About N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)furan-2-carboxamide

N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)furan-2-carboxamide (PubChem CID 852322) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)furan-2-carboxamide
PubChem CID852322
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2[nH]c3c(c2c1)CCCC3)c1ccco1
InChIInChI=1S/C17H16N2O2/c20-17(16-6-3-9-21-16)18-11-7-8-15-13(10-11)12-4-1-2-5-14(12)19-15/h3,6-10,19H,1-2,4-5H2,(H,18,20)
InChIKeyCONWFXWOGDRZKN-UHFFFAOYSA-N
XLogP3.89
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)furan-2-carboxamide?
The IUPAC name of N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)furan-2-carboxamide (CID 852322) is N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)furan-2-carboxamide is O=C(Nc1ccc2[nH]c3c(c2c1)CCCC3)c1ccco1.
What is the InChIKey of N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)furan-2-carboxamide?
The InChIKey is CONWFXWOGDRZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-17(16-6-3-9-21-16)18-11-7-8-15-13(10-11)12-4-1-2-5-14(12)19-15/h3,6-10,19H,1-2,4-5H2,(H,18,20).
What are the key properties of N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)furan-2-carboxamide?
N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)furan-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 852322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).