4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one

C9H11ClN2O2 — CID 106181767

IUPAC4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2ccc(Cl)o2)CN1
InChIInChI=1S/C9H11ClN2O2/c10-8-2-1-7(14-8)5-11-6-3-9(13)12-4-6/h1-2,6,11H,3-5H2,(H,12,13)
InChIKeyCGKBYVJPXNPEMV-UHFFFAOYSA-N
MW214.65 g/mol
LogP0.91
Rot. Bonds3

About 4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one

4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one (PubChem CID 106181767) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one
PubChem CID106181767
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2ccc(Cl)o2)CN1
InChIInChI=1S/C9H11ClN2O2/c10-8-2-1-7(14-8)5-11-6-3-9(13)12-4-6/h1-2,6,11H,3-5H2,(H,12,13)
InChIKeyCGKBYVJPXNPEMV-UHFFFAOYSA-N
XLogP0.91
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one
CID 130681741
N-[(5-chlorofuran-2-yl)methyl]-3-methylcyclobutan-1-amine
CID 115671447
3-methyl-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 106190640
4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one
CID 106182710
methyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate
CID 55246254
5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 106190673
3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid
CID 106190644
4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one
CID 106183258
4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one
CID 106182416
4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one
CID 106189567
4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]pyrrolidin-2-one
CID 106189688
4-[(2-hydroxynaphthalen-1-yl)methylamino]pyrrolidin-2-one
CID 106184475

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one (CID 106181767) is 4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one is O=C1CC(NCc2ccc(Cl)o2)CN1.
What is the InChIKey of 4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one?
The InChIKey is CGKBYVJPXNPEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-8-2-1-7(14-8)5-11-6-3-9(13)12-4-6/h1-2,6,11H,3-5H2,(H,12,13).
What are the key properties of 4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one?
4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one has a molecular weight of 214.65 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106181767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).