4-amino-2-pyrrolidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile

C14H21N5 — CID 56920902

IUPAC4-amino-2-pyrrolidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile
SMILESN#CC1=C(N)NC(N2CCCC2)=NC12CCCCC2
InChIInChI=1S/C14H21N5/c15-10-11-12(16)17-13(19-8-4-5-9-19)18-14(11)6-2-1-3-7-14/h1-9,16H2,(H,17,18)
InChIKeyRUVFHQVIULKYLJ-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.44
Rot. Bonds

About 4-amino-2-pyrrolidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile

4-amino-2-pyrrolidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile (PubChem CID 56920902) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-amino-2-pyrrolidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-pyrrolidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile
PubChem CID56920902
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name4-amino-2-pyrrolidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile
SMILESN#CC1=C(N)NC(N2CCCC2)=NC12CCCCC2
InChIInChI=1S/C14H21N5/c15-10-11-12(16)17-13(19-8-4-5-9-19)18-14(11)6-2-1-3-7-14/h1-9,16H2,(H,17,18)
InChIKeyRUVFHQVIULKYLJ-UHFFFAOYSA-N
XLogP1.44
TPSA77.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-pyrrolidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile?
The IUPAC name of 4-amino-2-pyrrolidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile (CID 56920902) is 4-amino-2-pyrrolidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile.
What is the SMILES notation for 4-amino-2-pyrrolidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile?
The canonical SMILES for 4-amino-2-pyrrolidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile is N#CC1=C(N)NC(N2CCCC2)=NC12CCCCC2.
What is the InChIKey of 4-amino-2-pyrrolidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile?
The InChIKey is RUVFHQVIULKYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c15-10-11-12(16)17-13(19-8-4-5-9-19)18-14(11)6-2-1-3-7-14/h1-9,16H2,(H,17,18).
What are the key properties of 4-amino-2-pyrrolidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile?
4-amino-2-pyrrolidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile has a molecular weight of 259.36 g/mol, XLogP of 1.44, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-pyrrolidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile is sourced from PubChem (CID 56920902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).