3-[(3-methylfuran-2-yl)methylamino]pyrrolidin-2-one

C10H14N2O2 — CID 130637972

IUPAC3-[(3-methylfuran-2-yl)methylamino]pyrrolidin-2-one
SMILESCc1ccoc1CNC1CCNC1=O
InChIInChI=1S/C10H14N2O2/c1-7-3-5-14-9(7)6-12-8-2-4-11-10(8)13/h3,5,8,12H,2,4,6H2,1H3,(H,11,13)
InChIKeyCWERYJSKHFGVBA-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.57
Rot. Bonds3

About 3-[(3-methylfuran-2-yl)methylamino]pyrrolidin-2-one

3-[(3-methylfuran-2-yl)methylamino]pyrrolidin-2-one (PubChem CID 130637972) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-[(3-methylfuran-2-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3-methylfuran-2-yl)methylamino]pyrrolidin-2-one
PubChem CID130637972
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-[(3-methylfuran-2-yl)methylamino]pyrrolidin-2-one
SMILESCc1ccoc1CNC1CCNC1=O
InChIInChI=1S/C10H14N2O2/c1-7-3-5-14-9(7)6-12-8-2-4-11-10(8)13/h3,5,8,12H,2,4,6H2,1H3,(H,11,13)
InChIKeyCWERYJSKHFGVBA-UHFFFAOYSA-N
XLogP0.57
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one
CID 55033629
2,3-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine
CID 115651167
3-[(3-methylthiophen-2-yl)methylamino]azepan-2-one
CID 43426636
3-[(3-methyl-2-pyridinyl)methylamino]piperidin-2-one
CID 112699998
[2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol
CID 111467057
2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine
CID 115693333
N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 115652214
3-[(2-ethylphenyl)methylamino]piperidin-2-one
CID 62392646
3-(pentylamino)pyrrolidin-2-one
CID 68641517
[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl] carbamate
CID 175375600
3-[[3-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one
CID 11440334
2-(cyclopropylmethyl)-3-methylfuran
CID 54330779

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylfuran-2-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 3-[(3-methylfuran-2-yl)methylamino]pyrrolidin-2-one (CID 130637972) is 3-[(3-methylfuran-2-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 3-[(3-methylfuran-2-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 3-[(3-methylfuran-2-yl)methylamino]pyrrolidin-2-one is Cc1ccoc1CNC1CCNC1=O.
What is the InChIKey of 3-[(3-methylfuran-2-yl)methylamino]pyrrolidin-2-one?
The InChIKey is CWERYJSKHFGVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-3-5-14-9(7)6-12-8-2-4-11-10(8)13/h3,5,8,12H,2,4,6H2,1H3,(H,11,13).
What are the key properties of 3-[(3-methylfuran-2-yl)methylamino]pyrrolidin-2-one?
3-[(3-methylfuran-2-yl)methylamino]pyrrolidin-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylfuran-2-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 130637972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).