1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one

C12H18N2O2 — CID 115606925

IUPAC1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNCc1ccoc1
InChIInChI=1S/C12H18N2O2/c15-12-3-1-6-14(12)7-2-5-13-9-11-4-8-16-10-11/h4,8,10,13H,1-3,5-7,9H2
InChIKeyRCALXHYKQMFBNT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.38
Rot. Bonds6

About 1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one

1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one (PubChem CID 115606925) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one
PubChem CID115606925
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNCc1ccoc1
InChIInChI=1S/C12H18N2O2/c15-12-3-1-6-14(12)7-2-5-13-9-11-4-8-16-10-11/h4,8,10,13H,1-3,5-7,9H2
InChIKeyRCALXHYKQMFBNT-UHFFFAOYSA-N
XLogP1.38
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
1-[3-[(5-methylthiophen-2-yl)methylamino]propyl]pyrrolidin-2-one
CID 17211975
1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17212169
1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211895
2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]benzoic acid
CID 17212317
1-[3-[(2,4-dichlorophenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211943
1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one
CID 17221800
N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 55182404
1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17211906
1-[3-[(4-phenylmethoxyphenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211904
1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 69380578
1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one
CID 19837416

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one (CID 115606925) is 1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one is O=C1CCCN1CCCNCc1ccoc1.
What is the InChIKey of 1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one?
The InChIKey is RCALXHYKQMFBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-12-3-1-6-14(12)7-2-5-13-9-11-4-8-16-10-11/h4,8,10,13H,1-3,5-7,9H2.
What are the key properties of 1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one?
1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one has a molecular weight of 222.29 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 115606925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).