3-[(1Z)-buta-1,3-dienyl]-2-methyl-6H-furo[3,2-c]carbazole

C19H15NO — CID 155417425

IUPAC3-[(1Z)-buta-1,3-dienyl]-2-methyl-6H-furo[3,2-c]carbazole
SMILESC=C/C=C\c1c(C)oc2c1ccc1[nH]c3ccccc3c12
InChIInChI=1S/C19H15NO/c1-3-4-7-13-12(2)21-19-14(13)10-11-17-18(19)15-8-5-6-9-16(15)20-17/h3-11,20H,1H2,2H3/b7-4-
InChIKeyAUCANRVHRQGBCT-DAXSKMNVSA-N
MW273.34 g/mol
LogP5.57
Rot. Bonds2

About 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6H-furo[3,2-c]carbazole

3-[(1Z)-buta-1,3-dienyl]-2-methyl-6H-furo[3,2-c]carbazole (PubChem CID 155417425) has the molecular formula C19H15NO and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6H-furo[3,2-c]carbazole.

Molecular Properties

Compound Name3-[(1Z)-buta-1,3-dienyl]-2-methyl-6H-furo[3,2-c]carbazole
PubChem CID155417425
Molecular FormulaC19H15NO
Molecular Weight273.34 g/mol
Exact Mass273.12
IUPAC Name3-[(1Z)-buta-1,3-dienyl]-2-methyl-6H-furo[3,2-c]carbazole
SMILESC=C/C=C\c1c(C)oc2c1ccc1[nH]c3ccccc3c12
InChIInChI=1S/C19H15NO/c1-3-4-7-13-12(2)21-19-14(13)10-11-17-18(19)15-8-5-6-9-16(15)20-17/h3-11,20H,1H2,2H3/b7-4-
InChIKeyAUCANRVHRQGBCT-DAXSKMNVSA-N
XLogP5.57
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.34
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6H-furo[3,2-c]carbazole?
The IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6H-furo[3,2-c]carbazole (CID 155417425) is 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6H-furo[3,2-c]carbazole.
What is the SMILES notation for 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6H-furo[3,2-c]carbazole?
The canonical SMILES for 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6H-furo[3,2-c]carbazole is C=C/C=C\c1c(C)oc2c1ccc1[nH]c3ccccc3c12.
What is the InChIKey of 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6H-furo[3,2-c]carbazole?
The InChIKey is AUCANRVHRQGBCT-DAXSKMNVSA-N. The full InChI is InChI=1S/C19H15NO/c1-3-4-7-13-12(2)21-19-14(13)10-11-17-18(19)15-8-5-6-9-16(15)20-17/h3-11,20H,1H2,2H3/b7-4-.
What are the key properties of 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6H-furo[3,2-c]carbazole?
3-[(1Z)-buta-1,3-dienyl]-2-methyl-6H-furo[3,2-c]carbazole has a molecular weight of 273.34 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6H-furo[3,2-c]carbazole is sourced from PubChem (CID 155417425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).