2-[(dimethylamino)methyl]-9-prop-2-enyl-3,4-dihydro-2H-carbazol-1-one

C18H22N2O — CID 25269239

IUPAC2-[(dimethylamino)methyl]-9-prop-2-enyl-3,4-dihydro-2H-carbazol-1-one
SMILESC=CCn1c2c(c3ccccc31)CCC(CN(C)C)C2=O
InChIInChI=1S/C18H22N2O/c1-4-11-20-16-8-6-5-7-14(16)15-10-9-13(12-19(2)3)18(21)17(15)20/h4-8,13H,1,9-12H2,2-3H3
InChIKeyVHSPGRJJAIOUDX-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.13
Rot. Bonds4

About 2-[(dimethylamino)methyl]-9-prop-2-enyl-3,4-dihydro-2H-carbazol-1-one

2-[(dimethylamino)methyl]-9-prop-2-enyl-3,4-dihydro-2H-carbazol-1-one (PubChem CID 25269239) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-9-prop-2-enyl-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-9-prop-2-enyl-3,4-dihydro-2H-carbazol-1-one
PubChem CID25269239
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-[(dimethylamino)methyl]-9-prop-2-enyl-3,4-dihydro-2H-carbazol-1-one
SMILESC=CCn1c2c(c3ccccc31)CCC(CN(C)C)C2=O
InChIInChI=1S/C18H22N2O/c1-4-11-20-16-8-6-5-7-14(16)15-10-9-13(12-19(2)3)18(21)17(15)20/h4-8,13H,1,9-12H2,2-3H3
InChIKeyVHSPGRJJAIOUDX-UHFFFAOYSA-N
XLogP3.13
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-9-prop-2-enyl-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 2-[(dimethylamino)methyl]-9-prop-2-enyl-3,4-dihydro-2H-carbazol-1-one (CID 25269239) is 2-[(dimethylamino)methyl]-9-prop-2-enyl-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-9-prop-2-enyl-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-9-prop-2-enyl-3,4-dihydro-2H-carbazol-1-one is C=CCn1c2c(c3ccccc31)CCC(CN(C)C)C2=O.
What is the InChIKey of 2-[(dimethylamino)methyl]-9-prop-2-enyl-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is VHSPGRJJAIOUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-11-20-16-8-6-5-7-14(16)15-10-9-13(12-19(2)3)18(21)17(15)20/h4-8,13H,1,9-12H2,2-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-9-prop-2-enyl-3,4-dihydro-2H-carbazol-1-one?
2-[(dimethylamino)methyl]-9-prop-2-enyl-3,4-dihydro-2H-carbazol-1-one has a molecular weight of 282.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-9-prop-2-enyl-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 25269239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).