9-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]carbazole

C18H19NO2 — CID 3849285

IUPAC9-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]carbazole
SMILESCC1(C)COC(Cn2c3ccccc3c3ccccc32)O1
InChIInChI=1S/C18H19NO2/c1-18(2)12-20-17(21-18)11-19-15-9-5-3-7-13(15)14-8-4-6-10-16(14)19/h3-10,17H,11-12H2,1-2H3
InChIKeyHJCHTYJANKXXRS-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.95
Rot. Bonds2

About 9-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]carbazole

9-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]carbazole (PubChem CID 3849285) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 9-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]carbazole.

Molecular Properties

Compound Name9-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]carbazole
PubChem CID3849285
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name9-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]carbazole
SMILESCC1(C)COC(Cn2c3ccccc3c3ccccc32)O1
InChIInChI=1S/C18H19NO2/c1-18(2)12-20-17(21-18)11-19-15-9-5-3-7-13(15)14-8-4-6-10-16(14)19/h3-10,17H,11-12H2,1-2H3
InChIKeyHJCHTYJANKXXRS-UHFFFAOYSA-N
XLogP3.95
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]carbazole?
The IUPAC name of 9-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]carbazole (CID 3849285) is 9-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]carbazole.
What is the SMILES notation for 9-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]carbazole?
The canonical SMILES for 9-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]carbazole is CC1(C)COC(Cn2c3ccccc3c3ccccc32)O1.
What is the InChIKey of 9-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]carbazole?
The InChIKey is HJCHTYJANKXXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(2)12-20-17(21-18)11-19-15-9-5-3-7-13(15)14-8-4-6-10-16(14)19/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 9-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]carbazole?
9-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]carbazole has a molecular weight of 281.36 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]carbazole is sourced from PubChem (CID 3849285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).