2-iminocyclopent-3-en-1-amine

C5H8N2 — CID 90973491

IUPAC2-iminocyclopent-3-en-1-amine
SMILES[H]/N=C1\C=CCC1N
InChIInChI=1S/C5H8N2/c6-4-2-1-3-5(4)7/h1-2,5-6H,3,7H2/b6-4+
InChIKeySIYIIWVKUQDFJJ-GQCTYLIASA-N
MW96.13 g/mol
LogP0.29
Rot. Bonds

About 2-iminocyclopent-3-en-1-amine

2-iminocyclopent-3-en-1-amine (PubChem CID 90973491) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 2-iminocyclopent-3-en-1-amine.

Molecular Properties

Compound Name2-iminocyclopent-3-en-1-amine
PubChem CID90973491
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name2-iminocyclopent-3-en-1-amine
SMILES[H]/N=C1\C=CCC1N
InChIInChI=1S/C5H8N2/c6-4-2-1-3-5(4)7/h1-2,5-6H,3,7H2/b6-4+
InChIKeySIYIIWVKUQDFJJ-GQCTYLIASA-N
XLogP0.29
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Iminocyclohexa-2,5-dien-1-amine
CID 140108
Cyclopent-2-en-1-ylideneazanium
CID 134849200
(Z)-2-iminohept-3-en-1-amine
CID 91316058
(Z)-6-iminohept-4-en-1-amine
CID 91431506
2-Iminocyclohex-3-en-1-amine
CID 91537045
6-Iminocyclohexa-2,4-dien-1-amine
CID 102383572
4-Iminocyclohex-2-en-1-amine
CID 123227294
2-Iminohex-5-en-3-amine
CID 123342184
(Z)-4-iminohex-2-en-1-amine
CID 123506377
5-(2-Iminocyclopent-3-en-1-ylidene)cyclopent-2-en-1-amine
CID 123775792
(2R,4Z,6Z)-3-iminoocta-4,6-dien-2-amine
CID 124088764
(Z)-5-iminohex-3-en-2-amine
CID 135245925

Frequently Asked Questions

What is the IUPAC name of 2-iminocyclopent-3-en-1-amine?
The IUPAC name of 2-iminocyclopent-3-en-1-amine (CID 90973491) is 2-iminocyclopent-3-en-1-amine.
What is the SMILES notation for 2-iminocyclopent-3-en-1-amine?
The canonical SMILES for 2-iminocyclopent-3-en-1-amine is [H]/N=C1\C=CCC1N.
What is the InChIKey of 2-iminocyclopent-3-en-1-amine?
The InChIKey is SIYIIWVKUQDFJJ-GQCTYLIASA-N. The full InChI is InChI=1S/C5H8N2/c6-4-2-1-3-5(4)7/h1-2,5-6H,3,7H2/b6-4+.
What are the key properties of 2-iminocyclopent-3-en-1-amine?
2-iminocyclopent-3-en-1-amine has a molecular weight of 96.13 g/mol, XLogP of 0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminocyclopent-3-en-1-amine is sourced from PubChem (CID 90973491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).