1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one

C19H18F2N2O2 — CID 118415662

IUPAC1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)Cn1c2ccc(F)cc2c2cc(F)ccc21
InChIInChI=1S/C19H18F2N2O2/c20-12-3-5-17-15(8-12)16-9-13(21)4-6-18(16)23(17)11-14(24)10-22-7-1-2-19(22)25/h3-6,8-9,14,24H,1-2,7,10-11H2
InChIKeyHGNBVXZRIOJJQX-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.06
Rot. Bonds4

About 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one

1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 118415662) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID118415662
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)Cn1c2ccc(F)cc2c2cc(F)ccc21
InChIInChI=1S/C19H18F2N2O2/c20-12-3-5-17-15(8-12)16-9-13(21)4-6-18(16)23(17)11-14(24)10-22-7-1-2-19(22)25/h3-6,8-9,14,24H,1-2,7,10-11H2
InChIKeyHGNBVXZRIOJJQX-UHFFFAOYSA-N
XLogP3.06
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one (CID 118415662) is 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one is O=C1CCCN1CC(O)Cn1c2ccc(F)cc2c2cc(F)ccc21.
What is the InChIKey of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is HGNBVXZRIOJJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c20-12-3-5-17-15(8-12)16-9-13(21)4-6-18(16)23(17)11-14(24)10-22-7-1-2-19(22)25/h3-6,8-9,14,24H,1-2,7,10-11H2.
What are the key properties of 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one?
1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 344.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 118415662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).