9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one

C19H23NO3 — CID 2839057

IUPAC9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one
SMILESCc1ccc2c(c1)c1c(n2CC2COC(C)(C)O2)C(=O)CCC1
InChIInChI=1S/C19H23NO3/c1-12-7-8-16-15(9-12)14-5-4-6-17(21)18(14)20(16)10-13-11-22-19(2,3)23-13/h7-9,13H,4-6,10-11H2,1-3H3
InChIKeyNKNDIVVMNHNKRM-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.62
Rot. Bonds2

About 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one

9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one (PubChem CID 2839057) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one
PubChem CID2839057
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one
SMILESCc1ccc2c(c1)c1c(n2CC2COC(C)(C)O2)C(=O)CCC1
InChIInChI=1S/C19H23NO3/c1-12-7-8-16-15(9-12)14-5-4-6-17(21)18(14)20(16)10-13-11-22-19(2,3)23-13/h7-9,13H,4-6,10-11H2,1-3H3
InChIKeyNKNDIVVMNHNKRM-UHFFFAOYSA-N
XLogP3.62
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one (CID 2839057) is 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one is Cc1ccc2c(c1)c1c(n2CC2COC(C)(C)O2)C(=O)CCC1.
What is the InChIKey of 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is NKNDIVVMNHNKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-12-7-8-16-15(9-12)14-5-4-6-17(21)18(14)20(16)10-13-11-22-19(2,3)23-13/h7-9,13H,4-6,10-11H2,1-3H3.
What are the key properties of 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one?
9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one has a molecular weight of 313.40 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 2839057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).