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

C22H27NO2 — CID 40518170

IUPAC9-[[(4S)-2,2-dipropyl-1,3-dioxolan-4-yl]methyl]carbazole
SMILESCCCC1(CCC)OC[C@H](Cn2c3ccccc3c3ccccc32)O1
InChIInChI=1S/C22H27NO2/c1-3-13-22(14-4-2)24-16-17(25-22)15-23-20-11-7-5-9-18(20)19-10-6-8-12-21(19)23/h5-12,17H,3-4,13-16H2,1-2H3/t17-/m0/s1
InChIKeyKXRPEINUCCUDJA-KRWDZBQOSA-N
MW337.46 g/mol
LogP5.51
Rot. Bonds6

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

9-[[(4S)-2,2-dipropyl-1,3-dioxolan-4-yl]methyl]carbazole (PubChem CID 40518170) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 9-[[(4S)-2,2-dipropyl-1,3-dioxolan-4-yl]methyl]carbazole.

Molecular Properties

Compound Name9-[[(4S)-2,2-dipropyl-1,3-dioxolan-4-yl]methyl]carbazole
PubChem CID40518170
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name9-[[(4S)-2,2-dipropyl-1,3-dioxolan-4-yl]methyl]carbazole
SMILESCCCC1(CCC)OC[C@H](Cn2c3ccccc3c3ccccc32)O1
InChIInChI=1S/C22H27NO2/c1-3-13-22(14-4-2)24-16-17(25-22)15-23-20-11-7-5-9-18(20)19-10-6-8-12-21(19)23/h5-12,17H,3-4,13-16H2,1-2H3/t17-/m0/s1
InChIKeyKXRPEINUCCUDJA-KRWDZBQOSA-N
XLogP5.51
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[[(4S)-2,2-dipropyl-1,3-dioxolan-4-yl]methyl]carbazole?
The IUPAC name of 9-[[(4S)-2,2-dipropyl-1,3-dioxolan-4-yl]methyl]carbazole (CID 40518170) is 9-[[(4S)-2,2-dipropyl-1,3-dioxolan-4-yl]methyl]carbazole.
What is the SMILES notation for 9-[[(4S)-2,2-dipropyl-1,3-dioxolan-4-yl]methyl]carbazole?
The canonical SMILES for 9-[[(4S)-2,2-dipropyl-1,3-dioxolan-4-yl]methyl]carbazole is CCCC1(CCC)OC[C@H](Cn2c3ccccc3c3ccccc32)O1.
What is the InChIKey of 9-[[(4S)-2,2-dipropyl-1,3-dioxolan-4-yl]methyl]carbazole?
The InChIKey is KXRPEINUCCUDJA-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27NO2/c1-3-13-22(14-4-2)24-16-17(25-22)15-23-20-11-7-5-9-18(20)19-10-6-8-12-21(19)23/h5-12,17H,3-4,13-16H2,1-2H3/t17-/m0/s1.
What are the key properties of 9-[[(4S)-2,2-dipropyl-1,3-dioxolan-4-yl]methyl]carbazole?
9-[[(4S)-2,2-dipropyl-1,3-dioxolan-4-yl]methyl]carbazole has a molecular weight of 337.46 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[(4S)-2,2-dipropyl-1,3-dioxolan-4-yl]methyl]carbazole is sourced from PubChem (CID 40518170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).