3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carbonitrile

C10H13N3O — CID 117012947

IUPAC3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carbonitrile
SMILESN#CC1(N)CCN(Cc2ccco2)C1
InChIInChI=1S/C10H13N3O/c11-7-10(12)3-4-13(8-10)6-9-2-1-5-14-9/h1-2,5H,3-4,6,8,12H2
InChIKeyKWAZRNUWJYHRMG-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.71
Rot. Bonds2

About 3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carbonitrile

3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carbonitrile (PubChem CID 117012947) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carbonitrile
PubChem CID117012947
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carbonitrile
SMILESN#CC1(N)CCN(Cc2ccco2)C1
InChIInChI=1S/C10H13N3O/c11-7-10(12)3-4-13(8-10)6-9-2-1-5-14-9/h1-2,5H,3-4,6,8,12H2
InChIKeyKWAZRNUWJYHRMG-UHFFFAOYSA-N
XLogP0.71
TPSA66.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,N-Trimethyl-2-furanmethanaminium
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1-Furfurylpyrrolidine
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2-cyano-N-((furan-2-yl)methyl)acetamide
CID 304848
Bis((furan-2-yl)methyl)amine
CID 557214
(2S,4S)-4-Fluoro-1-{N-[1-(2-furyl)-1-methylethyl]-glycyl}pyrrolidine-2-carbonitrile
CID 44560141
N-(2-Furanylmethyl)-4-morpholinepropanamine
CID 3312689
Furan-2-ylmethyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 2772044
N-(furan-2-ylmethyl)cyclopentanamine
CID 1080489
3-((Furan-2-ylmethyl)amino)propanenitrile
CID 2063331
((Furan-2-yl)methyl)(propan-2-yl)amine
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N-(2-furylmethyl)-2-oxo-2-(1-pyrrolidinyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carbonitrile?
The IUPAC name of 3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carbonitrile (CID 117012947) is 3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carbonitrile.
What is the SMILES notation for 3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carbonitrile?
The canonical SMILES for 3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carbonitrile is N#CC1(N)CCN(Cc2ccco2)C1.
What is the InChIKey of 3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carbonitrile?
The InChIKey is KWAZRNUWJYHRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-7-10(12)3-4-13(8-10)6-9-2-1-5-14-9/h1-2,5H,3-4,6,8,12H2.
What are the key properties of 3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carbonitrile?
3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 117012947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).