4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one

C13H15ClN2O2 — CID 106189567

IUPAC4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCC2Cc3cc(Cl)ccc3O2)CN1
InChIInChI=1S/C13H15ClN2O2/c14-9-1-2-12-8(3-9)4-11(18-12)7-15-10-5-13(17)16-6-10/h1-3,10-11,15H,4-7H2,(H,16,17)
InChIKeyYTOPMNUNNNNKDU-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.12
Rot. Bonds3

About 4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one

4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one (PubChem CID 106189567) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one
PubChem CID106189567
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCC2Cc3cc(Cl)ccc3O2)CN1
InChIInChI=1S/C13H15ClN2O2/c14-9-1-2-12-8(3-9)4-11(18-12)7-15-10-5-13(17)16-6-10/h1-3,10-11,15H,4-7H2,(H,16,17)
InChIKeyYTOPMNUNNNNKDU-UHFFFAOYSA-N
XLogP1.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one
CID 106189407
5-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidin-2-one
CID 66391444
4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 66362361
5-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-methylpiperidin-2-one
CID 66393969
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 66392403
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluoroaniline
CID 66392577
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine
CID 66391607
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylcyclopropan-1-amine
CID 66392019
[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 40566108
4-[[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381124
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 66393175
4-chloro-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-iodoaniline
CID 107635356

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one (CID 106189567) is 4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one is O=C1CC(NCC2Cc3cc(Cl)ccc3O2)CN1.
What is the InChIKey of 4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one?
The InChIKey is YTOPMNUNNNNKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-9-1-2-12-8(3-9)4-11(18-12)7-15-10-5-13(17)16-6-10/h1-3,10-11,15H,4-7H2,(H,16,17).
What are the key properties of 4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one?
4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one has a molecular weight of 266.73 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106189567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).