1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one

C12H18N2O2 — CID 62062665

IUPAC1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESNCC1CCN(C(=O)CCc2ccco2)C1
InChIInChI=1S/C12H18N2O2/c13-8-10-5-6-14(9-10)12(15)4-3-11-2-1-7-16-11/h1-2,7,10H,3-6,8-9,13H2
InChIKeyWNCWPZRDWNFACN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.02
Rot. Bonds4

About 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one

1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one (PubChem CID 62062665) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
PubChem CID62062665
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESNCC1CCN(C(=O)CCc2ccco2)C1
InChIInChI=1S/C12H18N2O2/c13-8-10-5-6-14(9-10)12(15)4-3-11-2-1-7-16-11/h1-2,7,10H,3-6,8-9,13H2
InChIKeyWNCWPZRDWNFACN-UHFFFAOYSA-N
XLogP1.02
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 55210563
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 114802131
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 114509981
1-(3-bromo-4-methylpiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 102961987
2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid
CID 62689381
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480
1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone
CID 83619262
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 80505042
1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 86896760
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 103352230
4-[3-(furan-2-yl)propanoyl]morpholine-2-carbothioamide
CID 79674928
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(4-bromophenyl)propan-1-one;hydrochloride
CID 119486290

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one (CID 62062665) is 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one is NCC1CCN(C(=O)CCc2ccco2)C1.
What is the InChIKey of 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one?
The InChIKey is WNCWPZRDWNFACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-8-10-5-6-14(9-10)12(15)4-3-11-2-1-7-16-11/h1-2,7,10H,3-6,8-9,13H2.
What are the key properties of 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one?
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one has a molecular weight of 222.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 62062665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).