2-aminocyclopentene-1-carbonitrile;methanimidamide

C7H12N4 — CID 160641869

IUPAC2-aminocyclopentene-1-carbonitrile;methanimidamide
SMILESN#CC1=C(N)CCC1.[H]/N=C/N
InChIInChI=1S/C6H8N2.CH4N2/c7-4-5-2-1-3-6(5)8;2-1-3/h1-3,8H2;1H,(H3,2,3)
InChIKeyRJGYSNVSBKREFH-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.46
Rot. Bonds

About 2-aminocyclopentene-1-carbonitrile;methanimidamide

2-aminocyclopentene-1-carbonitrile;methanimidamide (PubChem CID 160641869) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-aminocyclopentene-1-carbonitrile;methanimidamide.

Molecular Properties

Compound Name2-aminocyclopentene-1-carbonitrile;methanimidamide
PubChem CID160641869
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name2-aminocyclopentene-1-carbonitrile;methanimidamide
SMILESN#CC1=C(N)CCC1.[H]/N=C/N
InChIInChI=1S/C6H8N2.CH4N2/c7-4-5-2-1-3-6(5)8;2-1-3/h1-3,8H2;1H,(H3,2,3)
InChIKeyRJGYSNVSBKREFH-UHFFFAOYSA-N
XLogP0.46
TPSA99.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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4-amino-1-cyclopropyl-3,6-dihydro-2H-pyridine-5-carbonitrile
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1-(2-aminocyclopenten-1-yl)-1-iminopropan-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-aminocyclopentene-1-carbonitrile;methanimidamide?
The IUPAC name of 2-aminocyclopentene-1-carbonitrile;methanimidamide (CID 160641869) is 2-aminocyclopentene-1-carbonitrile;methanimidamide.
What is the SMILES notation for 2-aminocyclopentene-1-carbonitrile;methanimidamide?
The canonical SMILES for 2-aminocyclopentene-1-carbonitrile;methanimidamide is N#CC1=C(N)CCC1.[H]/N=C/N.
What is the InChIKey of 2-aminocyclopentene-1-carbonitrile;methanimidamide?
The InChIKey is RJGYSNVSBKREFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.CH4N2/c7-4-5-2-1-3-6(5)8;2-1-3/h1-3,8H2;1H,(H3,2,3).
What are the key properties of 2-aminocyclopentene-1-carbonitrile;methanimidamide?
2-aminocyclopentene-1-carbonitrile;methanimidamide has a molecular weight of 152.20 g/mol, XLogP of 0.46, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminocyclopentene-1-carbonitrile;methanimidamide is sourced from PubChem (CID 160641869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).