1-[bis(prop-2-enyl)amino]-3-carbazol-9-ylpropan-2-ol

C21H24N2O — CID 3239626

IUPAC1-[bis(prop-2-enyl)amino]-3-carbazol-9-ylpropan-2-ol
SMILESC=CCN(CC=C)CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H24N2O/c1-3-13-22(14-4-2)15-17(24)16-23-20-11-7-5-9-18(20)19-10-6-8-12-21(19)23/h3-12,17,24H,1-2,13-16H2
InChIKeyZGXCULSRUGPOMX-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.83
Rot. Bonds8

About 1-[bis(prop-2-enyl)amino]-3-carbazol-9-ylpropan-2-ol

1-[bis(prop-2-enyl)amino]-3-carbazol-9-ylpropan-2-ol (PubChem CID 3239626) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[bis(prop-2-enyl)amino]-3-carbazol-9-ylpropan-2-ol.

Molecular Properties

Compound Name1-[bis(prop-2-enyl)amino]-3-carbazol-9-ylpropan-2-ol
PubChem CID3239626
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name1-[bis(prop-2-enyl)amino]-3-carbazol-9-ylpropan-2-ol
SMILESC=CCN(CC=C)CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H24N2O/c1-3-13-22(14-4-2)15-17(24)16-23-20-11-7-5-9-18(20)19-10-6-8-12-21(19)23/h3-12,17,24H,1-2,13-16H2
InChIKeyZGXCULSRUGPOMX-UHFFFAOYSA-N
XLogP3.83
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[bis(prop-2-enyl)amino]-3-carbazol-9-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[bis(prop-2-enyl)amino]-3-carbazol-9-ylpropan-2-ol?
The IUPAC name of 1-[bis(prop-2-enyl)amino]-3-carbazol-9-ylpropan-2-ol (CID 3239626) is 1-[bis(prop-2-enyl)amino]-3-carbazol-9-ylpropan-2-ol.
What is the SMILES notation for 1-[bis(prop-2-enyl)amino]-3-carbazol-9-ylpropan-2-ol?
The canonical SMILES for 1-[bis(prop-2-enyl)amino]-3-carbazol-9-ylpropan-2-ol is C=CCN(CC=C)CC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-[bis(prop-2-enyl)amino]-3-carbazol-9-ylpropan-2-ol?
The InChIKey is ZGXCULSRUGPOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-3-13-22(14-4-2)15-17(24)16-23-20-11-7-5-9-18(20)19-10-6-8-12-21(19)23/h3-12,17,24H,1-2,13-16H2.
What are the key properties of 1-[bis(prop-2-enyl)amino]-3-carbazol-9-ylpropan-2-ol?
1-[bis(prop-2-enyl)amino]-3-carbazol-9-ylpropan-2-ol has a molecular weight of 320.44 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(prop-2-enyl)amino]-3-carbazol-9-ylpropan-2-ol is sourced from PubChem (CID 3239626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).