(4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one

C14H16ClN3O2 — CID 122497073

IUPAC(4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(Cl)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C14H16ClN3O2/c1-8(9-3-14(19)16-6-9)20-13-5-10(15)4-12-11(13)7-18(2)17-12/h4-5,7-9H,3,6H2,1-2H3,(H,16,19)/t8-,9-/m1/s1
InChIKeyLHTVNBARBMBFRV-RKDXNWHRSA-N
MW293.75 g/mol
LogP2.13
Rot. Bonds3

About (4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one (PubChem CID 122497073) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one
PubChem CID122497073
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name(4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(Cl)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C14H16ClN3O2/c1-8(9-3-14(19)16-6-9)20-13-5-10(15)4-12-11(13)7-18(2)17-12/h4-5,7-9H,3,6H2,1-2H3,(H,16,19)/t8-,9-/m1/s1
InChIKeyLHTVNBARBMBFRV-RKDXNWHRSA-N
XLogP2.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one (CID 122497073) is (4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(Cl)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one?
The InChIKey is LHTVNBARBMBFRV-RKDXNWHRSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-8(9-3-14(19)16-6-9)20-13-5-10(15)4-12-11(13)7-18(2)17-12/h4-5,7-9H,3,6H2,1-2H3,(H,16,19)/t8-,9-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one has a molecular weight of 293.75 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 122497073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).