N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide

C12H18N2O2 — CID 81400921

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESC[C@H](NC(=O)CC1CCCN1)c1ccco1
InChIInChI=1S/C12H18N2O2/c1-9(11-5-3-7-16-11)14-12(15)8-10-4-2-6-13-10/h3,5,7,9-10,13H,2,4,6,8H2,1H3,(H,14,15)/t9-,10?/m0/s1
InChIKeyGLONBKBBPNCKQC-RGURZIINSA-N
MW222.29 g/mol
LogP1.60
Rot. Bonds4

About N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide

N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 81400921) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID81400921
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESC[C@H](NC(=O)CC1CCCN1)c1ccco1
InChIInChI=1S/C12H18N2O2/c1-9(11-5-3-7-16-11)14-12(15)8-10-4-2-6-13-10/h3,5,7,9-10,13H,2,4,6,8H2,1H3,(H,14,15)/t9-,10?/m0/s1
InChIKeyGLONBKBBPNCKQC-RGURZIINSA-N
XLogP1.60
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614141
N-[1-(4-phenylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119685566
2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687090
2-(azetidin-3-yl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 81399568
N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81404911
N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81403939
N-[1-(furan-2-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79549697
(2S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-2-carboxamide
CID 93104490
N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 66195074
methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate
CID 119818568
N-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide
CID 81400796
2-(cyclopentylamino)-N-[1-(furan-2-yl)ethyl]acetamide
CID 60686918

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide (CID 81400921) is N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide is C[C@H](NC(=O)CC1CCCN1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is GLONBKBBPNCKQC-RGURZIINSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(11-5-3-7-16-11)14-12(15)8-10-4-2-6-13-10/h3,5,7,9-10,13H,2,4,6,8H2,1H3,(H,14,15)/t9-,10?/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 222.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 81400921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).