2-propylideneimidazole

C6H7N2+ — CID 57095373

IUPAC2-propylideneimidazole
SMILESC[CH+]C=C1N=CC=N1
InChIInChI=1S/C6H7N2/c1-2-3-6-7-4-5-8-6/h2-5H,1H3/q+1
InChIKeyIPESOQNHGIAUFF-UHFFFAOYSA-N
MW107.14 g/mol
LogP1.21
Rot. Bonds1

About 2-propylideneimidazole

2-propylideneimidazole (PubChem CID 57095373) has the molecular formula C6H7N2+ and a molecular weight of 107.14 g/mol. Its IUPAC name is 2-propylideneimidazole.

Molecular Properties

Compound Name2-propylideneimidazole
PubChem CID57095373
Molecular FormulaC6H7N2+
Molecular Weight107.14 g/mol
Exact Mass107.06
IUPAC Name2-propylideneimidazole
SMILESC[CH+]C=C1N=CC=N1
InChIInChI=1S/C6H7N2/c1-2-3-6-7-4-5-8-6/h2-5H,1H3/q+1
InChIKeyIPESOQNHGIAUFF-UHFFFAOYSA-N
XLogP1.21
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.14
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-3h-pyrrole
CID 142772290
2-Ethylideneimidazole
CID 56993510
2-Butylideneimidazole
CID 68195305
2-Propylideneimidazole
CID 69283318
N-[1-(methylideneamino)prop-1-enyl]ethanimine
CID 91297018
(Z)-1-[(Z)-ethylideneamino]but-1-en-1-amine
CID 144366901
(2E)-4-chloro-2-ethylideneimidazole
CID 146660822
(Z)-1-(propylideneamino)but-1-en-1-amine
CID 173297183
N,N-dimethyl-3H-pyrrol-5-amine
CID 174833087
(Z)-1-[(Z)-propylideneamino]but-1-en-1-amine
CID 88275817
5-isocyano-3H-pyrrole
CID 157469624

Frequently Asked Questions

What is the IUPAC name of 2-propylideneimidazole?
The IUPAC name of 2-propylideneimidazole (CID 57095373) is 2-propylideneimidazole.
What is the SMILES notation for 2-propylideneimidazole?
The canonical SMILES for 2-propylideneimidazole is C[CH+]C=C1N=CC=N1.
What is the InChIKey of 2-propylideneimidazole?
The InChIKey is IPESOQNHGIAUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2/c1-2-3-6-7-4-5-8-6/h2-5H,1H3/q+1.
What are the key properties of 2-propylideneimidazole?
2-propylideneimidazole has a molecular weight of 107.14 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylideneimidazole is sourced from PubChem (CID 57095373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).