3-aminocyclopentene-1-carbonitrile

C6H8N2 — CID 45116661

IUPAC3-aminocyclopentene-1-carbonitrile
SMILESN#CC1=CC(N)CC1
InChIInChI=1S/C6H8N2/c7-4-5-1-2-6(8)3-5/h3,6H,1-2,8H2
InChIKeyFRHHYQKWVWHTIB-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.56
Rot. Bonds

About 3-aminocyclopentene-1-carbonitrile

3-aminocyclopentene-1-carbonitrile (PubChem CID 45116661) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 3-aminocyclopentene-1-carbonitrile.

Molecular Properties

Compound Name3-aminocyclopentene-1-carbonitrile
PubChem CID45116661
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name3-aminocyclopentene-1-carbonitrile
SMILESN#CC1=CC(N)CC1
InChIInChI=1S/C6H8N2/c7-4-5-1-2-6(8)3-5/h3,6H,1-2,8H2
InChIKeyFRHHYQKWVWHTIB-UHFFFAOYSA-N
XLogP0.56
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-aminocyclopentene-1-carbonitrile?
The IUPAC name of 3-aminocyclopentene-1-carbonitrile (CID 45116661) is 3-aminocyclopentene-1-carbonitrile.
What is the SMILES notation for 3-aminocyclopentene-1-carbonitrile?
The canonical SMILES for 3-aminocyclopentene-1-carbonitrile is N#CC1=CC(N)CC1.
What is the InChIKey of 3-aminocyclopentene-1-carbonitrile?
The InChIKey is FRHHYQKWVWHTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c7-4-5-1-2-6(8)3-5/h3,6H,1-2,8H2.
What are the key properties of 3-aminocyclopentene-1-carbonitrile?
3-aminocyclopentene-1-carbonitrile has a molecular weight of 108.14 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminocyclopentene-1-carbonitrile is sourced from PubChem (CID 45116661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).