1-(3,6-dichlorocarbazol-9-yl)-3-pyrrolidin-1-ylpropan-2-ol

C19H20Cl2N2O — CID 2818432

IUPAC1-(3,6-dichlorocarbazol-9-yl)-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(CN1CCCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C19H20Cl2N2O/c20-13-3-5-18-16(9-13)17-10-14(21)4-6-19(17)23(18)12-15(24)11-22-7-1-2-8-22/h3-6,9-10,15,24H,1-2,7-8,11-12H2
InChIKeyVXMFEHUNDKFMOF-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.56
Rot. Bonds4

About 1-(3,6-dichlorocarbazol-9-yl)-3-pyrrolidin-1-ylpropan-2-ol

1-(3,6-dichlorocarbazol-9-yl)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 2818432) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 1-(3,6-dichlorocarbazol-9-yl)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3,6-dichlorocarbazol-9-yl)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID2818432
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name1-(3,6-dichlorocarbazol-9-yl)-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(CN1CCCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C19H20Cl2N2O/c20-13-3-5-18-16(9-13)17-10-14(21)4-6-19(17)23(18)12-15(24)11-22-7-1-2-8-22/h3-6,9-10,15,24H,1-2,7-8,11-12H2
InChIKeyVXMFEHUNDKFMOF-UHFFFAOYSA-N
XLogP4.56
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-pyrrolidin-1-ylpropan-2-ol (CID 2818432) is 1-(3,6-dichlorocarbazol-9-yl)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(3,6-dichlorocarbazol-9-yl)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(3,6-dichlorocarbazol-9-yl)-3-pyrrolidin-1-ylpropan-2-ol is OC(CN1CCCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(3,6-dichlorocarbazol-9-yl)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is VXMFEHUNDKFMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c20-13-3-5-18-16(9-13)17-10-14(21)4-6-19(17)23(18)12-15(24)11-22-7-1-2-8-22/h3-6,9-10,15,24H,1-2,7-8,11-12H2.
What are the key properties of 1-(3,6-dichlorocarbazol-9-yl)-3-pyrrolidin-1-ylpropan-2-ol?
1-(3,6-dichlorocarbazol-9-yl)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 363.29 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichlorocarbazol-9-yl)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 2818432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).