1-prop-2-enyl-3-propyl-2H-imidazole

C9H16N2 — CID 23154622

IUPAC1-prop-2-enyl-3-propyl-2H-imidazole
SMILESCCCN1CN(C=C1)CC=C
InChIInChI=1S/C9H16N2/c1-3-5-10-7-8-11(9-10)6-4-2/h3,7-8H,1,4-6,9H2,2H3
InChIKeyCJQPDLFMOKQXFO-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.20
Rot. Bonds4

About 1-prop-2-enyl-3-propyl-2H-imidazole

1-prop-2-enyl-3-propyl-2H-imidazole (PubChem CID 23154622) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-prop-2-enyl-3-propyl-2H-imidazole.

Molecular Properties

Compound Name1-prop-2-enyl-3-propyl-2H-imidazole
PubChem CID23154622
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-prop-2-enyl-3-propyl-2H-imidazole
SMILESCCCN1CN(C=C1)CC=C
InChIInChI=1S/C9H16N2/c1-3-5-10-7-8-11(9-10)6-4-2/h3,7-8H,1,4-6,9H2,2H3
InChIKeyCJQPDLFMOKQXFO-UHFFFAOYSA-N
XLogP2.20
TPSA6.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity152

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Butyl-3-methyl-2,3-dihydro-1H-imidazole
CID 10265934
1,3-Dimethylpyrimidine
CID 19432557
1,2-Dimethyl-3-propylimidazole
CID 19358758
1,3-dipropyl-2H-imidazole
CID 19800562
1-Allyl-3-methyl imidazole
CID 19927377
1,3-dibutyl-2H-imidazole
CID 21458258
Ethyl 1-ethyl-3-methylimidazole
CID 21869089
1-Allyl-3-butyl imidazole
CID 23154601
1-Allyl-3-vinylimidazole
CID 23154610
1-ethyl-3-prop-2-enyl-2H-imidazole
CID 23154613
1-Allyl-3-octylimidazole
CID 23154616
1-Vinyl-3-butylimidazole
CID 67656095

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-propyl-2H-imidazole?
The IUPAC name of 1-prop-2-enyl-3-propyl-2H-imidazole (CID 23154622) is 1-prop-2-enyl-3-propyl-2H-imidazole.
What is the SMILES notation for 1-prop-2-enyl-3-propyl-2H-imidazole?
The canonical SMILES for 1-prop-2-enyl-3-propyl-2H-imidazole is CCCN1CN(C=C1)CC=C.
What is the InChIKey of 1-prop-2-enyl-3-propyl-2H-imidazole?
The InChIKey is CJQPDLFMOKQXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-5-10-7-8-11(9-10)6-4-2/h3,7-8H,1,4-6,9H2,2H3.
What are the key properties of 1-prop-2-enyl-3-propyl-2H-imidazole?
1-prop-2-enyl-3-propyl-2H-imidazole has a molecular weight of 152.24 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-propyl-2H-imidazole is sourced from PubChem (CID 23154622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).