4,5-dihydro-1H-imidazole;prop-2-en-1-amine

C6H13N3 — CID 70140878

IUPAC4,5-dihydro-1H-imidazole;prop-2-en-1-amine
SMILESC1=NCCN1.C=CCN
InChIInChI=1S/C3H6N2.C3H7N/c1-2-5-3-4-1;1-2-3-4/h3H,1-2H2,(H,4,5);2H,1,3-4H2
InChIKeyUUQUNSYKNKOWPC-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.25
Rot. Bonds1

About 4,5-dihydro-1H-imidazole;prop-2-en-1-amine

4,5-dihydro-1H-imidazole;prop-2-en-1-amine (PubChem CID 70140878) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;prop-2-en-1-amine.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;prop-2-en-1-amine
PubChem CID70140878
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name4,5-dihydro-1H-imidazole;prop-2-en-1-amine
SMILESC1=NCCN1.C=CCN
InChIInChI=1S/C3H6N2.C3H7N/c1-2-5-3-4-1;1-2-3-4/h3H,1-2H2,(H,4,5);2H,1,3-4H2
InChIKeyUUQUNSYKNKOWPC-UHFFFAOYSA-N
XLogP-0.25
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazole;prop-2-en-1-amine?
The IUPAC name of 4,5-dihydro-1H-imidazole;prop-2-en-1-amine (CID 70140878) is 4,5-dihydro-1H-imidazole;prop-2-en-1-amine.
What is the SMILES notation for 4,5-dihydro-1H-imidazole;prop-2-en-1-amine?
The canonical SMILES for 4,5-dihydro-1H-imidazole;prop-2-en-1-amine is C1=NCCN1.C=CCN.
What is the InChIKey of 4,5-dihydro-1H-imidazole;prop-2-en-1-amine?
The InChIKey is UUQUNSYKNKOWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2.C3H7N/c1-2-5-3-4-1;1-2-3-4/h3H,1-2H2,(H,4,5);2H,1,3-4H2.
What are the key properties of 4,5-dihydro-1H-imidazole;prop-2-en-1-amine?
4,5-dihydro-1H-imidazole;prop-2-en-1-amine has a molecular weight of 127.19 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole;prop-2-en-1-amine is sourced from PubChem (CID 70140878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).