4-carbazol-9-ylbut-2-en-1-amine

C16H16N2 — CID 77110697

IUPAC4-carbazol-9-ylbut-2-en-1-amine
SMILESNCC=CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C16H16N2/c17-11-5-6-12-18-15-9-3-1-7-13(15)14-8-2-4-10-16(14)18/h1-10H,11-12,17H2
InChIKeyPFYSWUQNIZAFAY-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.31
Rot. Bonds3

About 4-carbazol-9-ylbut-2-en-1-amine

4-carbazol-9-ylbut-2-en-1-amine (PubChem CID 77110697) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-carbazol-9-ylbut-2-en-1-amine.

Molecular Properties

Compound Name4-carbazol-9-ylbut-2-en-1-amine
PubChem CID77110697
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name4-carbazol-9-ylbut-2-en-1-amine
SMILESNCC=CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C16H16N2/c17-11-5-6-12-18-15-9-3-1-7-13(15)14-8-2-4-10-16(14)18/h1-10H,11-12,17H2
InChIKeyPFYSWUQNIZAFAY-UHFFFAOYSA-N
XLogP3.31
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-ylbut-2-en-1-amine?
The IUPAC name of 4-carbazol-9-ylbut-2-en-1-amine (CID 77110697) is 4-carbazol-9-ylbut-2-en-1-amine.
What is the SMILES notation for 4-carbazol-9-ylbut-2-en-1-amine?
The canonical SMILES for 4-carbazol-9-ylbut-2-en-1-amine is NCC=CCn1c2ccccc2c2ccccc21.
What is the InChIKey of 4-carbazol-9-ylbut-2-en-1-amine?
The InChIKey is PFYSWUQNIZAFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c17-11-5-6-12-18-15-9-3-1-7-13(15)14-8-2-4-10-16(14)18/h1-10H,11-12,17H2.
What are the key properties of 4-carbazol-9-ylbut-2-en-1-amine?
4-carbazol-9-ylbut-2-en-1-amine has a molecular weight of 236.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-ylbut-2-en-1-amine is sourced from PubChem (CID 77110697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).