4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one

C13H14ClN3O — CID 168508451

IUPAC4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1Cc1ccc2cn[nH]c2c1
InChIInChI=1S/C13H14ClN3O/c14-5-10-4-13(18)17(8-10)7-9-1-2-11-6-15-16-12(11)3-9/h1-3,6,10H,4-5,7-8H2,(H,15,16)
InChIKeyNRRQNACUYKYUDW-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.15
Rot. Bonds3

About 4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one

4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one (PubChem CID 168508451) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one
PubChem CID168508451
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1Cc1ccc2cn[nH]c2c1
InChIInChI=1S/C13H14ClN3O/c14-5-10-4-13(18)17(8-10)7-9-1-2-11-6-15-16-12(11)3-9/h1-3,6,10H,4-5,7-8H2,(H,15,16)
InChIKeyNRRQNACUYKYUDW-UHFFFAOYSA-N
XLogP2.15
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-ethynyl-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one
CID 168501809
4-(aminomethyl)-1-[2-(1H-indazol-6-yl)ethyl]pyrrolidin-2-one
CID 168660252
4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
CID 168508497
1-[2-(1H-indazol-5-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670961
4-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-2-one
CID 168508503
4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one
CID 168657379
[5-oxo-1-(quinolin-7-ylmethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673807
4-(chloromethyl)-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-one
CID 168508472
4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
CID 168505091
1-[(4-bromo-3-chlorophenyl)methyl]-4-(bromomethyl)pyrrolidin-2-one
CID 168505063
1-(1H-indol-5-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671071
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one (CID 168508451) is 4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one is O=C1CC(CCl)CN1Cc1ccc2cn[nH]c2c1.
What is the InChIKey of 4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one?
The InChIKey is NRRQNACUYKYUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-5-10-4-13(18)17(8-10)7-9-1-2-11-6-15-16-12(11)3-9/h1-3,6,10H,4-5,7-8H2,(H,15,16).
What are the key properties of 4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one has a molecular weight of 263.73 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168508451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).