4-[(3-amino-2-oxopyrrolidin-1-yl)methyl]furan-2-carbonitrile

C10H11N3O2 — CID 54015648

IUPAC4-[(3-amino-2-oxopyrrolidin-1-yl)methyl]furan-2-carbonitrile
SMILESN#Cc1cc(CN2CCC(N)C2=O)co1
InChIInChI=1S/C10H11N3O2/c11-4-8-3-7(6-15-8)5-13-2-1-9(12)10(13)14/h3,6,9H,1-2,5,12H2
InChIKeyKVLCNVNAPJGGTA-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.21
Rot. Bonds2

About 4-[(3-amino-2-oxopyrrolidin-1-yl)methyl]furan-2-carbonitrile

4-[(3-amino-2-oxopyrrolidin-1-yl)methyl]furan-2-carbonitrile (PubChem CID 54015648) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-[(3-amino-2-oxopyrrolidin-1-yl)methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name4-[(3-amino-2-oxopyrrolidin-1-yl)methyl]furan-2-carbonitrile
PubChem CID54015648
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name4-[(3-amino-2-oxopyrrolidin-1-yl)methyl]furan-2-carbonitrile
SMILESN#Cc1cc(CN2CCC(N)C2=O)co1
InChIInChI=1S/C10H11N3O2/c11-4-8-3-7(6-15-8)5-13-2-1-9(12)10(13)14/h3,6,9H,1-2,5,12H2
InChIKeyKVLCNVNAPJGGTA-UHFFFAOYSA-N
XLogP0.21
TPSA83.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-oxopyrrolidin-1-yl)methyl]furan-2-carbonitrile?
The IUPAC name of 4-[(3-amino-2-oxopyrrolidin-1-yl)methyl]furan-2-carbonitrile (CID 54015648) is 4-[(3-amino-2-oxopyrrolidin-1-yl)methyl]furan-2-carbonitrile.
What is the SMILES notation for 4-[(3-amino-2-oxopyrrolidin-1-yl)methyl]furan-2-carbonitrile?
The canonical SMILES for 4-[(3-amino-2-oxopyrrolidin-1-yl)methyl]furan-2-carbonitrile is N#Cc1cc(CN2CCC(N)C2=O)co1.
What is the InChIKey of 4-[(3-amino-2-oxopyrrolidin-1-yl)methyl]furan-2-carbonitrile?
The InChIKey is KVLCNVNAPJGGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-4-8-3-7(6-15-8)5-13-2-1-9(12)10(13)14/h3,6,9H,1-2,5,12H2.
What are the key properties of 4-[(3-amino-2-oxopyrrolidin-1-yl)methyl]furan-2-carbonitrile?
4-[(3-amino-2-oxopyrrolidin-1-yl)methyl]furan-2-carbonitrile has a molecular weight of 205.22 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-oxopyrrolidin-1-yl)methyl]furan-2-carbonitrile is sourced from PubChem (CID 54015648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).