5-ethenyl-4,5-dihydro-1H-imidazol-2-amine

C5H9N3 — CID 91291277

IUPAC5-ethenyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC=CC1CN=C(N)N1
InChIInChI=1S/C5H9N3/c1-2-4-3-7-5(6)8-4/h2,4H,1,3H2,(H3,6,7,8)
InChIKeySEAYBWWYMJFBSF-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.54
Rot. Bonds1

About 5-ethenyl-4,5-dihydro-1H-imidazol-2-amine

5-ethenyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 91291277) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 5-ethenyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-ethenyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID91291277
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name5-ethenyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC=CC1CN=C(N)N1
InChIInChI=1S/C5H9N3/c1-2-4-3-7-5(6)8-4/h2,4H,1,3H2,(H3,6,7,8)
InChIKeySEAYBWWYMJFBSF-UHFFFAOYSA-N
XLogP-0.54
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
CID 12024894
5-prop-2-enyl-4,5-dihydro-1H-imidazole
CID 54061390
5-ethenyl-2-methyl-4,5-dihydro-1H-imidazole
CID 54494707
N-but-3-enyl-4,5-dihydro-1H-imidazol-2-amine
CID 58705258
N-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-2-amine
CID 60052224
5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
CID 68852810
N-but-2-enyl-4,5-dihydro-1H-imidazol-2-amine
CID 72635091
2-Methyl-1-pent-4-en-2-ylguanidine
CID 115769278
5-but-3-enyl-4,5-dihydro-1H-imidazol-2-amine
CID 133633801
N-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-1-ium-2-amine
CID 142842804
N,N-dimethyl-2,4-diazabicyclo[3.2.0]hepta-2,6-dien-3-amine
CID 21579054
1-methyl-N-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 45087809

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-ethenyl-4,5-dihydro-1H-imidazol-2-amine (CID 91291277) is 5-ethenyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-ethenyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-ethenyl-4,5-dihydro-1H-imidazol-2-amine is C=CC1CN=C(N)N1.
What is the InChIKey of 5-ethenyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is SEAYBWWYMJFBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-2-4-3-7-5(6)8-4/h2,4H,1,3H2,(H3,6,7,8).
What are the key properties of 5-ethenyl-4,5-dihydro-1H-imidazol-2-amine?
5-ethenyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 111.15 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 91291277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).